Publications

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.