Publications

The combustion emissions of the hydrogen-fueled engines are very clean but the problems of abnormal combustion and high NOx emissions limit their applications. Nowadays hydrogen engines use exhaust gas recirculation (EGR) technology to control the intensity of premixed combustion and reduce the NOx emissions. This study aims at improving the abnormal combustion and decreasing the NOx emissions of the hydrogen engine by applying a three-dimensional (3D) computational fluid dynamics (CFD) model of a single-cylinder hydrogen-fueled engine equipped with an EGR system. The results indicated that peak in-cylinder pressure continuously increased with the increase of the ignition advance angle and was closer to the top dead center (TDC). In addition the mixture was burned violently near the theoretical air–fuel ratio and the combustion duration was shortened. Moreover the NOx emissions the average pressure and the in-cylinder temperature decreased as the EGR ratio increased. Furthermore increasing the EGR ratio led to an increase in the combustion duration and a decrease in the peak heat release rate. EGR system could delay the spontaneous combustion reaction of the end-gas and reduce the probability of knocking. The pressure rise rate was controlled and the in-cylinder hot spots were reduced by the EGR system which could suppress the occurrence of the pre-ignition in the hydrogen engine.

Liquid hydrogen may have an important role in the storage and transportation of hydrogen energy. It may also provide the best option for some users of hydrogen energy notably the aviation sector. In the 1960’s liquid hydrogen spillages in open uncongested conditions sometimes produced violent condensed phase explosions as well as the familiar gas phase flash and sustained pool fire. Testing showed that burning mixtures of LH2 and solid oxygen/nitrogen readily transitioned to detonation for oxygen concentrations in the solid phase at or above 50%. Such explosive events have been observed in more recent research work on LH2 spillage and the pressure effects could be significant in some accident scenarios. There is a need to understand how solids are produced following spillage and what factors determine the level of oxygen enrichment. This paper describes the physical processes involved in the accumulation of solids during a horizontal discharge at ground level based on observations made in a recent HSE test that led to a condensed phase explosion. Areas where solids accumulated but remained in intimate contact with LH2 are identified. The paper also includes a thermodynamic and fluid mechanical analysis of the condensation process that includes the calculation of densities of mixtures of LH2 and air in different proportions. When the difference in flow speed between air and underlying LH2 is low a stable condensation layer can develop above the liquid where the temperature is just under the initial condensation point of air allowing sustained oxygen enrichment of condensate.

Hydrogen is the ultimate vector for a carbon-free sustainable green-energy. While being the most promising candidate to serve this purpose hydrogen inherits a series of characteristics making it particularly difficult to handle store transport and use in a safe manner. The researchers’ attention has thus shifted to storing hydrogen in its more manageable forms: the light metal hydrides and related derivatives (ammonia-borane tetrahydridoborates/borohydrides tetrahydridoaluminates/alanates or reactive hydride composites). Even then the thermodynamic and kinetic behavior faces either too high energy barriers or sluggish kinetics (or both) and an efficient tool to overcome these issues is through nanoconfinement. Nanoconfined energy storage materials are the current state-of-the-art approach regarding hydrogen storage field and the current review aims to summarize the most recent progress in this intriguing field. The latest reviews concerning H2 production and storage are discussed and the shift from bulk to nanomaterials is described in the context of physical and chemical aspects of nanoconfinement effects in the obtained nanocomposites. The types of hosts used for hydrogen materials are divided in classes of substances the mean of hydride inclusion in said hosts and the classes of hydrogen storage materials are presented with their most recent trends and future prospects.

On this episode of Everything About Hydrogen Jan Klawitter Head of International Policy for Anglo American speaks with Andrew Chris and Patrick about Anglo American's strategy for decarbonizing its mining operations and how they plan to use hydrogen and fuel cell technologies as a key part of their approach.

The podcast can be found on their website

In this work a model of an energy system based on photovoltaics as the main energy source and a hybrid energy storage consisting of a short‐term lithium‐ion battery and hydrogen as the long‐term storage facility is presented. The electrical and the heat energy circuits and resulting flows have been modelled. Therefore the waste heat produced by the electrolyser and the fuel cell have been considered and a heat pump was considered to cover the residual heat demand. The model is designed for the analysis of a whole year energy flow by using a time series of loads weather and heat profile as input. This paper provides the main set of equations to derive the component properties and describes the implementation into MATLAB/Simulink. The novel model was created for an energy flow simulation over one year. The results of the simulation have been verified by comparing them with well‐established simulation results from HOMER Energy. It turns out that the novel model is well suited for the analysis of the dynamic system behaviour. Moreover different characteristics to achieve an energy balance an ideal dimensioning for the particular use case and further research possibilities of hydrogen use in the residential sector are covered by the novel model.

The effect of carbon monoxide (CO) on the performance of polymer electrolyte fuel cells (PEFCs) with either a hydrogen circulation system or a hydrogen one-way pass system is investigated and compared. The voltage drop induced by adding 0.2 ppm of CO to the PEFC with the hydrogen circulation system was less than one-tenth of that observed in the PEFC with the hydrogen one-way pass system at 1000 mA cm–2 and a cell temperature of 60 °C. Gas analysis results showed that CO concentration in the hydrogen circulation system was lower than the initially supplied CO concentration. In the hydrogen circulation system permeated oxygen from the cathode should enhance CO oxidation. This should lead to decrease the CO concentration and mitigate the voltage drop in the hydrogen circulation system.

Among numerous techniques for the hydrogen production without harmful emissions especially avoiding the carbon dioxide emissions hydrogen technologies driven by geothermal energy represent an attractive solution. This paper is interested in the process by which the electricity generated from geothermal power plant that is operated using CO2 as heat transmission fluid is exploited for hydrogen production through water electrolysis. A numerical simulation is used to evaluate the potential for hydrogen production and to estimate the levelized cost of electrolytic hydrogen. We also present brief analysis of environmental issues including the carbon tax. The results show that the process has a good potential for geothermal hydrogen production is capable of producing about 22 kg/h of electrolytic hydrogen for the geothermal source of carbon dioxide mass flow rate of 40 kg/s and a temperature of 296 K. In economic regard the electric energy system costs are the major component of the total hydrogen production cost (more than 90%). The estimated cost of hydrogen is 8.24 $/kg H2. By including the carbon tax the cost of hydrogen production becomes far more competitive.

HyPoint led by its CEO and co-founder Alex Ivanenko is at the cutting edge of the industry's efforts to find zero-emissions aircraft propulsion systems that do not sacrifice speed and power in the name of sustainability. HyPoint is a leading producer of high-temperature PEM fuel cells for aviation applications including for logistic drones air taxis electric vertical takeoff and landing vehicles (eVTOLs) and fixed-wing airplanes. On this episode of the EAH podcast the team speaks with Alex about the incredible pace of development and rapid innovation that he and his colleagues are driving in the hydrogen aviation space and how his company is leading the way in a highly complex and competitive race to decarbonize modern air travel.

The podcast can be found on their website

The thermochemical conversion of methane (CH4) and water (H2O) to syngas and hydrogen via chemical looping using concentrated sunlight as a sustainable source of process heat attracts considerable attention. It is likewise a means of storing intermittent solar energy into chemical fuels. In this study solar chemical looping reforming of CH4 and H2O splitting over non-stoichiometric ceria (CeO2/CeO2−δ) redox cycle were experimentally investigated in a volumetric solar reactor prototype. The cycle consists of (i) the endothermic partial oxidation of CH4 and the simultaneous reduction of ceria and (ii) the subsequent exothermic splitting of H2O and the simultaneous oxidation of the reduced ceria under isothermal operation at ~1000°C enabling the elimination of sensible heat losses as compared to non-isothermal thermochemical cycles. Ceria-based reticulated porous ceramics with different sintering temperatures (1000 and 1400°C) were employed as oxygen carriers and tested with different methane flow rates (0.1–0.4 NL/min) and methane concentrations (50 and 100%). The impacts of operating conditions on the foam-averaged oxygen non-stoichiometry (reduction extent δ) syngas yield methane conversion solar-to-fuel energy conversion efficiency as well as the effects of transient solar conditions were demonstrated and emphasized. As a result clean syngas was successfully produced with H2/CO ratios approaching 2 during the first reduction step while high-purity H2 was subsequently generated during the oxidation step. Increasing methane flow rate and CH4 concentration promoted syngas yields up to 8.51 mmol/gCeO2 and δ up to 0.38 at the expense of enhanced methane cracking reaction and reduced CH4 conversion. Solar-to-fuel energy conversion efficiency namely the ratio of the calorific value of produced syngas to the total energy input (solar power and calorific value of converted methane) and CH4 conversion were achieved in the range of 2.9–5.6% and 40.1–68.5% respectively.

High performing proton exchange membrane fuel cells (PEMFCs) that can operate at low relative humidity is a continuing technical challenge for PEMFC developers. In this work micro-patterned membranes are demonstrated at the cathode side by solution casting techniques using stainless steel moulds with laser-imposed periodic surface structures (LIPSS). Three types of patterns lotus lines and sharklet are investigated for their influence on the PEMFC power performance at varying humidity conditions. The experimental results show that the cathode electrolyte pattern in all cases enhances the fuel cell power performance at 100% relative humidity (RH). However only the sharklet pattern exhibits a significant improvement at 25% RH where a peak power density of 450 mW cm⁻² is recorded compared with 150 mW cm⁻² of the conventional flat membrane. The improvements are explored based on high-frequency resistance electrochemically active surface area (ECSA) and hydrogen crossover by in situ membrane electrode assembly (MEA) testing.

This review paper examines the possible pathways and possible technologies available that will help the shipping sector achieve the International Maritime Organization’s (IMO) deep decarbonization targets by 2050. There has been increased interest from important stakeholders regarding deep decarbonization evidenced by market surveys conducted by Shell and Deloitte. However deep decarbonization will require financial incentives and policies at an international and regional level given the maritime sector’s ~3% contribution to green house gas (GHG) emissions. The review paper based on research articles and grey literature discusses technoeconomic problems and/or benefits for technologies that will help the shipping sector achieve the IMO’s targets. The review presents a discussion on the recent literature regarding alternative fuels (nuclear hydrogen ammonia methanol) renewable energy sources (biofuels wind solar) the maturity of technologies (fuel cells internal combustion engines) as well as technical and operational strategies to reduce fuel consumption for new and existing ships (slow steaming cleaning and coating waste heat recovery hull and propeller design). The IMO’s 2050 targets will be achieved via radical technology shift together with the aid of social pressure financial incentives regulatory and legislative reforms at the local regional and international level.

TiFe activation for hydrogen uptake was conducted through different methods and ball milling with ethanol proved to be the most effective one. TiFe alloy after activation could absorb 1.2 wt% hydrogen at room temperature with absorption and desorption plateaus of 0.5 MPa and 0.2 MPa respectively. Investigation on microstructure and chemical state of TiFe sample after milled with ethanol suggested that the well spread metallic Ti and Fe elements helped hydrogen uptake and release. The activation of TiFe alloy by milling with ethanol was achieved at ambient conditions with ease successfully and possibly can be used for large scale production

Reducing CO₂ emissions from ships in unprofitable coastline transport using electricity and hydrogen has potential for island development to improve transport and protect biodiversity and nature. New technologies are a challenge for shipping companies and their introduction should be accompanied by a system of state aid for alternative energy sources. The energy requirements of an electric ferry for a route of up to 6 km were considered as well as the amount of hydrogen needed to generate the electricity required to charge the ferry batteries to enable a state aid scheme. For a daily ferry operation a specific fuel consumption of 60.6 g/kWh of liquid hydrogen is required in the system fuel cell with a total of 342.69 kg of hydrogen. Compared to marine diesel the use of electric ferries leads to a reduction of CO₂ emissions by up to 90% including significantly lower NOx Sox and particulate matter (PM) emissions and operating costs by up to 80%.

According to new findings the use of alternative energy sources such as wind energy is needed to supply the energy demand of future generations. On the other hand combined renewable energy systems can be more efficient than their stand-alone systems. Therefore clean energy-based hybrid energy systems can be a suitable solution for fossil fuels. However for their widespread commercialization more detailed and powerful studies are needed. On the other hand in order to attain sustainable development for the use of renewable energy sources due to their nature energy storage is required. The motivation of this study is introduce and examine a new energy system performance for the production of electricity and hydrogen fuel as well as energy storage. So this paper presents the energy and exergy operation of a hybrid wind turbine water electrolyzer and Pumped-hydro-compressed air system. The electricity produced by the wind turbine is used to produce hydrogen fuel in electrolyzer and the excess energy is stored using the storage system. It was found that the electrolyzer needed 512.6 W of electricity to generate 5 mol/h of hydrogen fuel which was supplied by a 10 kW-wind turbine. In such a context the efficiency of the process was 74.93%. Furthermore on average the isothermal process requires 17.53% less storage capacity than the isentropic process. The effect of key parameters such as rate of hydrogen fuel production operating pressures wind speed and components efficiency on the process operation is also examined.

Designing nanostructured electrocatalysts for selective transfer hydrogenation of α β-unsaturated aldehydes with water as the hydrogen source is highly desirable. Here a facile self-templating strategy is designed for the synthesis of CoS₂ and CoS₂-x nanocapsules (NCs) as efficient cathodes for selective transfer hydrogenation of cinnamaldehyde a model α β-unsaturated aldehyde. The hollow porous structures of NCs are rich in active sites and improve mass transfer resulting in high turnover frequency. The specific adsorption of the styryl block on pristine CoS₂ NCs is conducive to the selective formation of half-hydrogenated hydrocinnamaldehyde with 91.7% selectivity and the preferential adsorption of the C = O group induced by sulfur vacancies on defective CoS₂-x NCs leads to the full-hydrogenated hydrocinnamyl alcohol with 92.1% selectivity. A cross-coupling of carbon and hydrogen radicals may be involved in this electrochemical hydrogenation reaction. Furthermore this selective hydrogenation method is also effective for other α β-unsaturated aldehydes illustrating the universality of the method.

To find suitable sealing material with low permeability against hydrogen the elaborated evaluation techniques for hydrogen transport properties are necessary. We developed two techniques determining the permeability of hydrogen including software for diffusion behavior analysis. The techniques contain gas chromatography and volumetric collection of hydrogen gas. By measuring the hydrogen released from polymer samples with respect to the elapsed time after being decompressed from the high pressure total amount of adsorption and diffusivity (D) of hydrogen are evaluated with self-developed program of Fick's diffusion equation specified to a sample shape. The solubility (S) and permeability (P) of the polymers are determined through Henry's law and a relation of P=SD respectively. Developed techniques were applied to three kinds of spherical-shaped sealing rubbers NBR EPDM and FKM. The D S and P have been measured as function of pressure. The permeability obtained by both methods are discussed with Comsol simulation.

An ultra low carbon (ULC) steel was subjected to electrochemical hydrogen charging to provoke hydrogen induced damage in the material. The damage characteristics were analyzed for recrystallized partially recrystallized and cold deformed material. The goal of the study is to understand the effect of cold deformation on the hydrogen induced cracking behavior of a material which is subjected to cathodic hydrogen charging. Additionally charging conditions i.e. charging time and current density were varied in order to identify correlations between on the one hand crack initiation and propagation and on the other hand the charging conditions. The obtained hydrogen induced cracks were studied by optical microscopy scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD). Hydrogen induced cracks were observed to propagate transgranularly independently of the state of the material. Deformed samples were considerably more sensitive to hydrogen induced cracking which implies the important role of dislocations in hydrogen induced damage mechanisms.

Efficient hydrogen emission from ethanol with disperse graphene foam particles by using a continuous wave infrared laser diode is reported. The products of ethanol dissociation - hydrogen methane and carbon oxide were measured using mass spectrometry. It was found that the most efficient generation of hydrogen was observed when graphene particles were irradiated by a focused laser beam proceeded at the surface of ethanol solution. The process was assisted by intense white light emission resulting from the laser induced multiphoton ionization of graphene combined with the simultaneous emission of hot electrons. The hot electron emission enables the efficient dissociation of ethanol molecules located close to the solution surface with graphene foam particles.

The industrial sector is the world’s second largest emitter of greenhouse gases hence a methodology for decarbonizing factory systems is crucial for achieving global climate goals. Hydrogen is an important medium for the transition towards carbon neutral factories due to its broad applicability within the factory including its use in electricity and heat generation and as a process gas or fuel. One of the main challenges is the identification of economically and environmentally suitable design scenarios such as for the entire value chain for hydrogen generation and application. For example the infrastructure for renewable electricity hydrogen generation hydrogen conversion (e.g. into synthetic fuels) storage and transport systems as well as application in the factory. Due to the high volatility of energy generation and the related dynamic interdependencies within a factory system a valid technical economic and environmental evaluation of benefits induced by hydrogen technologies can only be achieved using digital factory models. In this paper we present a framework to integrate hydrogen technologies into factory systems. This enables decision makers to identify promising measures according to their expected impact and collect data for appropriate factory modelling. Furthermore a concept for factory modelling and simulation is presented and demonstrated in a case study from the electronics industry assessing the use of hydrogen for decentralized power and heat generation.

The following report is a research piece outlining the potential pathways for decarbonisation of Scottish Industries. Two main pathways are considered hydrogen and electrification with both resulting in similar costs and levels of carbon reduction.

The heating sector makes up 10% of the United Kingdom’s carbon footprint and residential homes account for a majority of demand. At present central heating from a natural gas-fired boiler is the most common system in the UK but low or zero-carbon hydrogen and renewable electricity are the two primary energy replacement options to reduce the carbon footprint. An important consideration is how using either energy source would affect heating costs. This assessment projects the costs for a typical single-family UK household and climate performance in 2050 using low-GHG or GHG-neutral hydrogen renewable electricity or a combination of both. The cost of using boilers or fuel cells in 2050 with two types of hydrogen are assessed: produced via steam-methane reforming (SMR) combined with carbon capture and storage (CCS) and electrolysis using zero-carbon renewable electricity. The costs of heat pumps the most promising heating technology for the direct use of renewable electricity are also assessed in two scenarios: a heat pump only and a hybrid heat pump with an auxiliary hydrogen boiler.

You can download this document from the International Council On Clean Transportation website linked here

Although proton exchange membrane fuel cell (PEMFC) systems are expected to have lower environmental impacts in the operational phase compared to conventional energy conversion systems there are still certain economic operational and environmental setbacks. Durability under a wide range of operating conditions presents a challenge because degradation processes affect the PEMFC efficiency. Typically life cycle assessment (LCA) of PEMFC systems do not include performance degradation. Thus a novel semi-empirical PEMFC model is developed which includes degradation effects caused by different operational regimes (dynamic and steady-state). The model is integrated into LCA through life cycle inventory (LCI) to achieve a more realistic and accurate evaluation of environmental impacts. Verification of the model clearly showed that the use of existing LCI models underestimates the environmental impacts. This is especially evident when green hydrogen is used in PEMFC operational phase where manufacturing phase and maintenance (stack replacements) become more influential. Input parameters of the model can be modified to reflect technological improvements (e.g. platinum loading or durability) and evaluate the effects of future scenarios.

Hydrogen embrittlement (HE) is a critical issue that hinders the reliability of hydrogenation reactors. Hence it is of great significance to investigate the effect of hydrogen on fracture toughness of 2.25Cr-1Mo-0.25V steel and weld. In this work the fracture behavior of 2.25Cr-1Mo-0.25V steel and welds was studied by three-point bending tests under hydrogen-free and hydrogen-charged conditions. The immersion charging method was employed to pre-charge hydrogen inside specimen and the fracture toughness of these joints was evaluated quantitatively. The microstructure and grain size of the specimens were observed by scanning electron microscopy (SEM) and by metallurgical microscopy to investigate the HE mechanisms. It was found that fracture toughness for both the base metal (BM) and the weld zone (WZ) significantly decreased under hydrogen-charged conditions due to the coexistence of the hydrogen-enhanced decohesion (HEDE) and hydrogen-enhanced localized plasticity (HELP) mechanisms. Moreover the formation and growth of primary voids were observed in the BM leading to a superior fracture toughness. In addition the BM compared to the WZ shows superior resistance to HE because the finer grain size in the BM leads to a larger grain boundary area thus distributing more of the diffusive hydrogen trapped in the grain boundary and reducing the hydrogen content.

Transformation induced plasticity (TRIP)-assisted annealed martensitic (TAM) steel combines higher tensile strength and elogangtion and has been increasingly used but appears to bemore prone to hydrogen embrittlement (HE). In this paper the hydrogen trapping behavior and HE of TRIP-assisted annealed martensitic steels with different vanadium additions had been investigated by means of hydrogen charging and slow strain rate tensile tests (SSRT) microstructral observartion and thermal desorption mass spectroscope (TDS). Hydrogen charging test results indicates that apparent hydrogen diffusive index D_a is 1.94 × 10⁻⁷/cm²·s⁻¹ for 0.21 wt.% vanadium steel while the value is 8.05 × 10⁻⁷/cm²·s⁻¹ for V-free steel. SSRT results show that the hydrogen induced ductility loss ID is 76.2% for 0.21 wt.%V steel compared with 86.5% for V-free steel. The trapping mechanism of the steel containing different V contents is analyzed by means of TDS and Transmission electron microscope (TEM) observations. It is found out that the steel containing 0.21 wt.%V can create much more traps for hydrogen trapping compared with lower V steel which is due to vanadium carbide (VC) precipitates acting as traps capturing hydrogen atoms.The relationship between hydrogen diffusion and hydrogentrapping mechanism is discussed in details.

Initial assessment of Scotland’s opportunity to produce green hydrogen from offshore wind

Summary of Key Findings

• Scotland has an abundant offshore wind resource that has the potential to be a vital component in our net zero transition. If used to produce green hydrogen offshore wind can help abate the emissions of historically challenging sectors such as heating transport and industry.
• The production of green hydrogen from offshore wind can help overcome Scotland’s grid constraints and unlock a massive clean power generation resource creating a clean fuel for Scottish industry and households and a highly valuable commodity to supply rapidly growing UK and European markets.
• The primary export markets for Scottish green hydrogen are expected to be in Northern Europe (Germany Netherlands & Belgium). Strong competition to supply these markets is expected to come from green hydrogen produced from solar energy in Southern Europe and North Africa.
• Falling wind and electrolyser costs will enable green hydrogen production to be cost-competitive in the key transport and heat sectors by 2032. Strategic investment in hydrogen transportation and storage is essential to unlocking the economic opportunity for Scotland.
• Xodus’ analysis supports a long-term outlook of LCoH falling towards £2/kg with an estimated reference cost of £2.3 /kg in 2032 for hydrogen delivered to shore.
• Scotland has extensive port and pipeline infrastructure that can be repurposed for hydrogen export to the rest of UK and to Europe. Pipelines from the ‘90s are optimal for this purpose as they are likely to retain acceptable mechanical integrity and have a metallurgy better suited to hydrogen service. A more detailed assessment of export options should be performed to provide a firm foundation for early commercial green hydrogen projects.
• There is considerable hydrogen supply chain overlap with elements of parallel sectors most notably the oil and gas offshore wind and subsea engineering sectors. Scotland already has a mature hydrocarbon supply chain which is engaged in supporting green hydrogen. However a steady pipeline of early projects supported by a clear financeable route to market will be needed to secure this supply chain capability through to widescale commercial deployment.
• There are gaps in the Scottish supply chain in the areas of design manufacture and maintenance of hydrogen production storage and transportation systems. Support including apprenticeships will be needed to develop indigenous skills and capabilities in these areas.
• The development of green hydrogen from offshore wind has the potential to create high value jobs a significant proportion which are likely to be in remote rural/coastal communities located close to offshore wind resources. These can serve as an avenue for workers to redeploy and develop skills learned from oil and gas in line with Just Transition principles.

The next few decades are expected to be among the most transformative the energy sector has ever seen. Arup envisages a world with a much more diverse range of heating sources and with significantly lower emissions and renewable energy powering transport.<br/>As part of this the establishment of a strong hydrogen economy is a very real opportunity and is within reaching distance. Our report uses the UK as a case study example and explores the challenges and opportunities for hydrogen in the context of the whole energy system.<br/>Read about the progress already being made in using hydrogen for transport and heat. And the need to progress policy and collaboration between government the private sector and other stakeholders to shape future demand change consumer perception and create the strong supply chains needed to allow the hydrogen economy to thrive.

Recently hot stamping technology has been increasingly used in automotive structural parts with ultrahigh strength to meet the standards of both high fuel efficiency and crashworthiness. However one issue of concern regarding these martensitic steels which are fabricated using a hot stamping procedure is that the steel is highly vulnerable to hydrogen delayed cracking caused by the diffusible hydrogen flow through the surface reaction of the coating in a furnace atmosphere. One way to make progress in understanding hydrogen delayed fractures is to elucidate an interaction for desorption with diffusible hydrogen behavior. The role of diffusible hydrogen on delayed fractures was studied for different baking times and temperatures in a range of automotive processes for hot-stamped martensitic steel with aluminum- and silicon-coated surfaces. It was clear that the release of diffusible hydrogen is effective at higher temperatures and longer times making the steel less susceptible to hydrogen delayed fractures. Using thermal desorption spectroscopy the phenomenon of the hydrogen delayed fracture was attributed to reversible hydrogen in microstructure sites with low trapping energy.

Synthetic fuels are needed to replace their fossil counterparts for clean transport. Presently their production is still inefficient and costly. To enhance the process of methanol production from CO₂ and H₂ and reduce its cost a particle-resolved numerical simulation tool is presented. A global surface reaction model based on the Langmuir-Hinshelwood-Hougen-Watson kinetics is utilized. The approach is first validated against standard benchmark problems for non-reacting and reacting cases. Next the method is applied to study the performance of methanol production in a 2D fixed-bed reactor under a range of parameters. It is found that methanol yield enhances with pressure catalyst loading reactant ratio and packing density. The yield diminishes with temperature at adiabatic conditions while it shows non-monotonic change for the studied isothermal cases. Overall the staggered and the random catalyst configurations are found to outperform the in-line system.

This study is a review of hydrogen station patents using the Derwent Innovation system and also a secondary screening. This was undertaken by the researchers to better understand and identify hydrogen station trends. The review focuses on analyzing the developing trends of patent technologies associated with a hydrogen station. The results of the review indicated that the countries with the major distribution of patents were Japan China the USA and Europe. Japan is leading the developmental trajectory of hydrogen stations. The results of the analysis found the leading developers of these patented technologies are Kobe Steel Nippon Oil Toyota and Honda. Other active patent developers analyzed include Linde Hyundai and Texaco. The review concludes with a suggestion that using a patent analysis methodology is a good starting point to identify evaluate and measure the trend in hydrogen station commercial development.

Hydrogen gas concentrations and jet velocities were measured downstream by a high response speed flame ionization detector and PIV (Particle Image Velocimetry) in order to investigate the characteristics of dispersion and ignitability for 40–82 MPa high-pressurized hydrogen jet discharged from a nozzle with 0.2 mm diameter. The light emitted from both OH radical and water vapor species yielded from hydrogen combustion ignited by an electric spark were recorded by two high speed cameras. From the results the empirical formula concerning the relationships for time-averaged concentrations concentration fluctuations and ignition probability were obtained to suggest that they would be independent of hydrogen discharge pressure.

Our contribution demonstrates that hydrogen storage in stationary Liquid Organic Hydrogen Carrier (LOHC) systems becomes much simpler and significantly more efficient if both the LOHC hydrogenation and the LOHC dehydrogenation reaction are carried out in the same reactor using the same catalyst. The finding that the typical dehydrogenation catalyst for hydrogen release from perhydro dibenzyltoluene (H18-DBT) Pt on alumina turns into a highly active and very selective dibenzyltoluene hydrogenation catalyst at temperatures above 220 °C paves the way for our new hydrogen storage concept. Herein hydrogenation of H0-DBT and dehydrogenation of H18-DBT is carried out at the same elevated temperature between 290 and 310 °C with hydrogen pressure being the only variable for shifting the equilibrium between hydrogen loading and release. We demonstrate that the heat of hydrogenation can be provided at a temperature level suitable for effective dehydrogenation catalysis. Combined with a heat storage device of appropriate capacity or a high pressure steam system this heat could be used for dehydrogenation.

Fuel cells are promising technologies for zero-emission energy conversion. They are used in several applications such as power plants cars and even submarines. Hydrogen supply is crucial for such systems and using Proton Exchange Membrane Fuel Cell in dead-end mode is a solution to save hydrogen. Since water and impurities accumulate inside the stack purging is necessary. However the importance of operating parameters is not well known for fuel cells working in closed environments. A Design of Experiment approach studying time between two purges and cell performance was conducted on an air-breathing stack in a closed environment. The most influential parameters on the time between two purges are the relative humidity and the current load. Convection in the closed environment can decrease the stability of the fuel cell. A linear model with interactions between these last three parameters was found to accurately describe the studied responses.

A technoeconomic analysis of photoelectrochemical (PEC) and photovoltaic-electrolytic (PV-E) solar-hydrogen production of 10 000 kg H₂ day⁻¹ (3.65 kilotons per year) was performed to assess the economics of each technology and to provide a basis for comparison between these technologies as well as within the broader energy landscape. Two PEC systems differentiated primarily by the extent of solar concentration (unconcentrated and 10× concentrated) and two PV-E systems differentiated by the degree of grid connectivity (unconnected and grid supplemented) were analyzed. In each case a base-case system that used established designs and materials was compared to prospective systems that might be envisioned and developed in the future with the goal of achieving substantially lower overall system costs. With identical overall plant efficiencies of 9.8% the unconcentrated PEC and non-grid connected PV-E system base-case capital expenses for the rated capacity of 3.65 kilotons H₂ per year were $205 MM ($293 per m² of solar collection area (m_S⁻²) $14.7 W_H2P⁻¹) and $260 MM ($371 mS−2 $18.8 W_H2P⁻¹) respectively. The untaxed plant-gate levelized costs for the hydrogen product (LCH) were $11.4 kg⁻¹ and $12.1 kg⁻¹ for the base-case PEC and PV-E systems respectively. The 10× concentrated PEC base-case system capital cost was $160 MM ($428 m_S−2 $11.5 WH₂P⁻¹) and for an efficiency of 20% the LCH was $9.2 kg−1. Likewise the grid supplemented base-case PV-E system capital cost was $66 MM ($441 _mS⁻² $11.5 W_H2P⁻¹) and with solar-to-hydrogen and grid electrolysis system efficiencies of 9.8% and 61% respectively the LCH was $6.1 kg⁻¹. As a benchmark a proton-exchange membrane (PEM) based grid-connected electrolysis system was analyzed. Assuming a system efficiency of 61% and a grid electricity cost of $0.07 kWh⁻¹ the LCH was $5.5 kg⁻¹. A sensitivity analysis indicated that relative to the base-case increases in the system efficiency could effect the greatest cost reductions for all systems due to the areal dependencies of many of the components. The balance-of-systems (BoS) costs were the largest factor in differentiating the PEC and PV-E systems. No single or combination of technical advancements based on currently demonstrated technology can provide sufficient cost reductions to allow solar hydrogen to directly compete on a levelized cost basis with hydrogen produced from fossil energy. Specifically a cost of CO₂ greater than ∼$800 (ton CO₂)−1 was estimated to be necessary for base-case PEC hydrogen to reach price parity with hydrogen derived from steam reforming of methane priced at $12 GJ⁻¹ ($1.39 (kg H₂)⁻¹). A comparison with low CO₂ and CO₂-neutral energy sources indicated that base-case PEC hydrogen is not currently cost-competitive with electrolysis using electricity supplied by nuclear power or from fossil-fuels in conjunction with carbon capture and storage. Solar electricity production and storage using either batteries or PEC hydrogen technologies are currently an order of magnitude greater in cost than electricity prices with no clear advantage to either battery or hydrogen storage as of yet. Significant advances in PEC technology performance and system cost reductions are necessary to enable cost-effective PEC-derived solar hydrogen for use in scalable grid-storage applications as well as for use as a chemical feedstock precursor to CO₂-neutral high energy-density transportation fuels. Hence such applications are an opportunity for foundational research to contribute to the development of disruptive approaches to solar fuels generation systems that can offer higher performance at much lower cost than is provided by current embodiments of solar fuels generators. Efforts to directly reduce CO₂ photoelectrochemically or electrochemically could potentially produce products with higher value than hydrogen but many as yet unmet challenges include catalytic efficiency and selectivity and CO₂ mass transport rates and feedstock cost. Major breakthroughs are required to obtain viable economic costs for solar hydrogen production but the barriers to achieve cost-competitiveness with existing large-scale thermochemical processes for CO₂ reduction are even greater.

We present the results of a life-cycle assessment (LCA) for the manufacturing and end-of-life (EoL) phases of the following fuel-cell and hydrogen (FCH) technologies: alkaline water electrolyser (AWE) polymer-electrolyte-membrane water electrolyser (PEMWE) high-temperature (HT) and low-temperature (LT) polymer-electrolyte-membrane fuel cells (PEMFCs) together with the balance-of-plant components. New life-cycle inventories (LCIs) i.e. material inputs for the AWE PEMWE and HT PEMFC are developed whereas the existing LCI for the LT PEMFC is adopted from a previous EU-funded project. The LCA models for all four FCH technologies are created by modelling the manufacturing phase followed by defining the EoL strategies and processes used and finally by assessing the effects of the EoL approach using environmental indicators. The effects are analysed with a stepwise approach where the CML2001 assessment method is used to evaluate the environmental impacts. The results show that the environmental impacts of the manufacturing phase can be substantially reduced by using the proposed EoL strategies (i.e. recycled materials being used in the manufacturing phase and replacing some of the virgin materials). To point out the importance of critical materials (in this case the platinum-group metals or PGMs) and their recycling strategies further analyses were made. By comparing the EoL phase with and without the recycling of PGMs an increase in the environmental impacts is observed which is much greater in the case of both fuel-cell systems because they contain a larger quantity of PGMs.

Hydrogen technologies have experienced cycles of excessive expectations followed by disillusion. Nonetheless a growing body of evidence suggests these technologies form an attractive option for the deep decarbonisation of global energy systems and that recent improvements in their cost and performance point towards economic viability as well. This paper is a comprehensive review of the potential role that hydrogen could play in the provision of electricity heat industry transport and energy storage in a low-carbon energy system and an assessment of the status of hydrogen in being able to fulfil that potential. The picture that emerges is one of qualified promise: hydrogen is well established in certain niches such as forklift trucks while mainstream applications are now forthcoming. Hydrogen vehicles are available commercially in several countries and 225 000 fuel cell home heating systems have been sold. This represents a step change from the situation of only five years ago. This review shows that challenges around cost and performance remain and considerable improvements are still required for hydrogen to become truly competitive. But such competitiveness in the medium-term future no longer seems an unrealistic prospect which fully justifies the growing interest and policy support for these technologies around the world.

Low-carbon hydrogen is an essential element in the transition to net-zero emissions by 2050. Hydrogen production from biomass is a promising bio-energy with carbon capture and storage (BECCS) scheme that could produce low-carbon hydrogen and generate the carbon dioxide removal (CDR) envisioned to be required to offset hard-to-abate emissions. Here we design a BECCS supply chain for hydrogen production from biomass with carbon capture and storage and quantify at high spatial resolution the technical potential for hydrogen production and CDR in Europe. We consider sustainable biomass feedstocks that have minimal impacts on food security and biodiversity namely agricultural residues and waste. We find that this BECCS supply chain can produce up to 12.5 Mtons of H2 per year (currently ~10 Mtons of H2 per year are used in Europe) and remove up to 133 Mtons CO2 per year from the atmosphere (or 3% of European total greenhouse gas emissions). We then perform a geospatial analysis to quantify transportation distances between where biomass feedstocks are located and potential hydrogen users and find that 20% of hydrogen potential is located within 25 km from hard-toelectrify industries. We conclude that BECCS supply chains for hydrogen production from biomass represent an overlooked near-term opportunity to generate carbon dioxide removal and low-carbon hydrogen.

The effects of thermomechanical processing on the microstructure and hydrogen embrittlement properties of ultrahigh-strength low-alloy transformation-induced plasticity (TRIP)-aided bainitic ferrite (TBF) steels were investigated to apply to automobile forging parts such as engine and drivetrain parts. The hydrogen embrittlement properties were evaluated by conducting conventional tensile tests after hydrogen charging and constant load four-point bending tests with hydrogen charging. The 0.4 mass%C-TBF steel achieved refinement of the microstructure improved retained austenite characteristics and strengthening owing to thermomechanical processing. This might be attributed to dynamic and static recrystallizations during thermomechanical processing in TBF steels. Moreover the hydrogen embrittlement resistances were improved by the thermomechanical processing in TBF steels. This might be caused by the refinement of the microstructure an increase in the stability of the retained austenite and low hydrogen absorption of the thermomechanically processed TBF steels.

If Hydrogen is expected to be highly valuable some improvements should be conducted mainly regarding the storage safety. To prevent from high pressure hydrogen composite tanks bursting the comprehension of the thermo-mechanics phenomena in the case of fire should be improved. To understand the kinetic of strength loss the heat flux produced by fire of various intensities should be assessed. This is the objective of this real scale experimental campaign which will allow studying in future works the strength loss of composite high-pressure vessels in similar fire conditions to the ones determined in this study. Fire calibration tests were performed on metallic cylinder vessels. These tests with metallic cylinders are critical in the characterization of the thermal load of various fire sources (pool fire propane gas fire hydrogen gas fire) so as to evaluate differences related to different thermal load. Radiant panels were also used as thermal source for reference of pure radiation heat transfer. The retained thermal load might be representative of accidental situations in worst case scenarios and relevant for a standardized testing protocol. The tests performed show that hydrogen gas fires and heptane pool fire allow reaching the target in terms of absorbed energy regarding the results of risk analysis performed previously. Other considerations can be taken into account that will led to retain an hydrogen gas fire for further works. Firstly hydrogen gas fire is the more realistic scenario: Hydrogen is the combustible that we every time find near an hydrogen storage. Secondly as one of the objectives of the project is to make recommendations for standardization issues it's important to note that gas fires are not too complex to calibrate control and reproduce. Finally due to previous considerations Hydrogen gas fire will be retained for thermal load of composite cylinders in future works.

A new type of high strength corrosion-resistant magnesium alloy was prepared by adding 1% rare earth Gd to AM50 and then treated with hot extrusion method. The stress corrosion properties of the new materials in air pure water 0.5 mol/L NaCl and 0.5 mol/L Na2_SO₄ solution were studied by the slow strain rate tensile (SSRT) test in situ open circuit potential test Tafel curve test stereomicroscope SEM and EDS. The results showed the following. The stress corrosion sensitivity of the material in different environments was Na2_SO₄> NaCl > distilled water > air. According to the Tafel curves measured at 0 and 100 MPa the corrosion voltage decreased little and the corrosion current density increased rapidly under 100 Pa. This was because the film of the corrosion product ruptured to form a large cathode and a small anode which resulted in a large instantaneous corrosion current. The mechanism of hydrogen embrittlement and anodic dissolution together affected the stress corrosion behavior of the alloy. In distilled water hydrogen embrittlement played a major role while in NaCl and Na2_SO₄solution hydrogen embrittlement and anodic dissolution were both affected. The direct reason of the stress corrosion crack (SCC) samples’ failure was the cracks expanding rapidly at the bottom of pit which was caused by corrosion.

Hydrogen fuelled vehicles can play a key role in the decarbonisation of transport and reducing emissions. To ensure the durability of fuel cells a specification has been developed (ISO 14687) setting upper limits to the amount fraction of a series of impurities. Demonstrating conformity with this standard requires demonstrating by measurement that the actual levels of the impurities are below the thresholds. Currently the industry is unable to do so for measurement standards and sensitive dedicated analytical methods are lacking. In this work we report on the development of such measurement standards and methods for four reactive components: formaldehyde formic acid hydrogen chloride and hydrogen fluoride. The primary measurement standard is based on permeation and the analytical methods on highly sensitive and selective laser-based spectroscopic techniques. Relative expanded uncertainties at the ISO 14687 threshold level in hydrogen of 4% (formaldehyde) 8% (formic acid) 5% (hydrogen chloride) and 8% (hydrogen fluoride) have been achieved.

The Energy Technologies Institute (ETI) has developed an internationally peer-reviewed model of the UK’s national energy system extending across power heat transport and infrastructure. The Energy System Modelling Environment (ESME) is a policy neutral system-wide optimisation model. It models the key technology and engineering choices taking account of cost engineering spatial and temporal factors.

Key points:

• A system-wide perspective informed by modelling is highly relevant because complex energy systems are made more inter-dependent by emissions reduction objectives
• Efforts to cut emissions are substitutable across a national energy system encompassing power heat transport and infrastructure.
• Energy systems are subject to key decision points and it is important to make the right choices in major long lived investments
• Policy makers should place policy in a system-wide context.

The ETI’s current ESME-based analysis of the UK energy system shows that

• Decarbonisation can be achieved affordably (at around 0.6% of GDP) provided that the most cost effective technologies and strategies to reduce emissions are deployed
• A broad portfolio of technologies is needed to deliver emissions reductions with bio-energy and carbon capture and storage of particular system-wide importance

Policy makers can use energy system modelling to inform market and policy design increase understanding of pathways (including the impacts of ‘real world’ constraints and inertia in deploying technology) and identify key ‘contender’ technologies with particular system-wide value.

This report is prepared by thirty of the largest global car manufacturers oil and gas companies utilities equipment manufacturers NGOs governmental and clean energy organisations with the collaboration of the Fuel Cells and Hydrogen Joint Undertaking.<br/>The analysis compares the economics sustainability and performance of the vehicles and infrastructures needed to reach the 80% decarbonisation goal set by the<br/>European Union and is an unprecedented effort from industry and other stakeholders to analyse the role of the various new car-types in meeting this objective on the basis of proprietary industrial data.

A model has been derived for the magnesium hydrogenation reaction at conditions close to equilibrium. The reaction mechanism involves an adsorption element where the model is an extension of the Langmuir adsorption model. The concept of site availability (σs) is introduced whereby it has the capability to reduce the reaction rate. To improve representation of σs an adaptable semi-empirical equation has been developed. Supplement to the surface reaction a rate equation has been derived considering resistance effects. It was found that close to equilibrium surface resistance dominated the reaction.

Explosion venting is commonly used in the process industry as a prevention solution to protect equipment or buildings against excessive internal pressure caused by an explosion. This article is dedicated to the validation of FLACS CFD code for the modelling of vented explosions. Analytical engineering models fail when complex cases are considered for instance in the presence of obstacles or H2 stratified mixtures. CFD is an alternative solution but has to be carefully validated. In this study FLACS simulations are compared to published experimental results and recommendations are suggested for their application.

This brief explores recent momentum on hydrogen and evaluates potential implications for subsidies for fossil fuel-based hydrogen given the government's commitments on fossil fuel subsidies.

Spending on hydrogen has the potential to significantly influence the direction taken by the world’s energy systems. In December 2020 Canada unveiled a national hydrogen strategy following the announcement of a strengthened climate plan. The strategy emphasized both blue and green hydrogen. As the government considers whether to provide subsidies for hydrogen we recommend government:

• Ensure that any subsidies for hydrogen are in line with the government’s commitments to phase out inefficient fossil fuel subsidies by 2025 and meet net-zero by 2050.
• Thoroughly evaluate the potential efficiency of subsidies for hydrogen against robust social environmental and economic criteria. • Improve transparency by publicly reporting on direct spending and tax expenditures for hydrogen production.
• Follow international best practices being set by Canada’s peers. For example Germany and Spain have laid out hydrogen strategies prioritizing green hydrogen.

Based on IISD's analysis subsidies for hydrogen based on natural gas without significant levels of carbon capture and storage (CCS) should not be eligible for government assistance. Subsidies for blue hydrogen should only occur if blue hydrogen can meet the same level of environmental performance (including emission intensity) and is at or below the cost of green hydrogen.

This brief is one of three International Institute for Sustainable Development (IISD) policy briefs in its Recovery Through Reform series which assesses how efforts to achieve a green recovery from COVID-19 in Canada rely on—and can contribute to—fossil fuel subsidy reform.

With the development of the hydrogen fuel cell automobile industry higher requirements are put forward for the construction of hydrogen energy infrastructure the matching of parameters and the control strategy of hydrogen filling rate in the hydrogenation process of hydrogenation station. Fuel for hydrogen fuel cell vehicles comes from hydrogen refueling stations. At present the technological difficulty of hydrogenation is mainly reflected in the balanced treatment of reducing the temperature rise of hydrogen and shortening the filling time during the fast filling process. The Joule-Thomson (JT) effect occurs when high-pressure hydrogen gas passes through the valve assembly which may lead to an increase in hydrogen temperature. The JT effect is generally reflected by the JT coefficient. According to the high pressure hydrogen in the pressure reducing valve the corresponding JT coefficients were calculated by using the VDW equation RK equation SRK equation and PR equation and the expression of JT effect temperature rise was deduced which revealed the hydrogen temperature variation law in the process of reducing pressure. Make clear the relationship between charging parameters and temperature rise in the process of decompression; the flow and thermal characteristics of hydrogen in the process of decompression are revealed. This study provides basic support for experts to achieve throttling optimization of related pressure control system in hydrogen industry

Hydrogen intrudes into the steel during pickling process which is a pre-processing before a joining process promoting crack formation. In a mechanical clinching which is one of joining method in the automotive industry cracks due to large strain sometimes forms. In order to guarantee reliability it is important to clarify the influence of hydrogen on crack formation of the joint. In this study we clarified the influence of hydrogen for the crack formation on the mechanical clinching. Hydrogen charge was carried out using an electrolytic cathode charge. After the charging mechanical clinching was performed. Mechanical clinching was carried out with steel plate and aluminium alloy plate. To clarify the influence of hydrogen mechanical clinching was conducted without hydrogen charring. To investigate the crack formation the test piece was cut and the cut surface was observed. When the joint was broken during the clinching the fracture surface was observed using an optical microscope and an electron microscope. The load-displacement diagram showed that without hydrogen charging the compressive load increased as the displacement increased. On the other hand the compressive load temporarily decreased with high hydrogen charging suggesting that cracks formed at the time. The cut surface observation showed that interlock was formed in both cases with low hydrogen charging and without hydrogen charging. With low hydrogen charging no cracks were formed in the joint. When high hydrogen charging was performed cracks were formed at the joining point. Fracture analysis showed brittle-like fracture surface. These results indicate that hydrogen induces crack formation in the mechanical clinching.

Multiscale characterization of the hydrogenation process of silicon solar cell contacts based on c-Si/SiO_x/nc-SiC_x(p) has been performed by combining dynamic secondary ion mass-spectrometry (D-SIMS) atom probe tomography (APT) and transmission electron microscopy (TEM). These contacts are formed by high-temperature firing which triggers the crystallization of SiCx followed by a hydrogenation process to passivate remaining interfacial defects. Due to the difficulty of characterizing hydrogen at the nm-scale the exact hydrogenation mechanisms have remained elusive. Using a correlative TEM-SIMS-APT analysis we are able to locate hydrogen trap sites and quantify the hydrogen content. Deuterium (D) a heavier isotope of hydrogen is used to distinguish hydrogen introduced during hydrogenation from its background signal. D-SIMS is used due to its high sensitivity to get an accurate deuterium-to-hydrogen ratio which is then used to correct deuterium profiles extracted from APT reconstructions. This new methodology to quantify the concentration of trapped hydrogen in nm-scale structures sheds new insights on hydrogen distribution in technologically important photovoltaic materials.

The chemical and petrochemical sector relies on fossil fuels and feedstocks and is a major source of carbon dioxide (CO2 ) emissions. The techno-economic potential of 20 decarbonisation options is assessed. While previous analyses focus on the production processes this analysis covers the full product life cycle CO2 emissions. The analysis elaborates the carbon accounting complexity that results from the non-energy use of fossil fuels and highlights the importance of strategies that consider the carbon stored in synthetic organic products—an aspect that warrants more attention in long-term energy scenarios and strategies. Average mitigation costs in the sector would amount to 64 United States dollars (USD) per tonne of CO2 for full decarbonisation in 2050. The rapidly declining renewables cost is one main cause for this low-cost estimate. Renewable energy supply solutions in combination with electrification account for 40% of total emissions reductions. Annual biomass use grows to 1.3 gigatonnes; green hydrogen electrolyser capacity grows to 2435 gigawatts and recycling rates increase six-fold while product demand is reduced by a third compared to the reference case. CO2 capture storage and use equals 30% of the total decarbonisation effort (1.49 gigatonnes per year) where about one-third of the captured CO2 is of biogenic origin. Circular economy concepts including recycling account for 16% while energy efficiency accounts for 12% of the decarbonisation needed. Achieving full decarbonisation in this sector will increase energy and feedstock costs by more than 35%. The analysis shows the importance of renewables-based solutions accounting for more than half of the total emissions reduction potential which was higher than previous estimates.

Hydrogen and its interaction with metal oxide surfaces is of major importance for a wide range of research and applied fields spanning from catalysis energy storage microelectronics to metallurgy. This paper reviews state of the art of first principles calculations on the well-known ruthenium oxide (RuO₂) surface in its (110) orientation and its interaction with hydrogen. In addition to it the paper also fills gaps in knowledge with new calculations and results on the (001) surface. Bulk and surface interactions are thoroughly reviewed. This includes systematic analysis of adsorption sites local agglomeration propensity of hydrogen and migration pathways in which literature data and their potential deviations are explained. We notably discuss novel results on propensity for agglomeration of hydrogen within bulk channels [001] oriented in which the proton-like behavior of adsorbed hydrogen hinders further agglomeration in adjacent channels. The paper brings new insights into the migration pathways on the surface and in bulk both exhibiting preferential diffusion paths along the [001] direction. The paper finally investigates the subsurface region. We show that while the subsurface has more stable sites for adsorption compared to bulk its accessibility from the surface shows prohibitive activation barriers inhibiting penetration into subsurface and bulk. We further calculate and discuss adsorption and penetration processes on the alternative RuO₂ (001) surface.