Direct Electrolysis of Municipal Reclaimed Water for Efficient Hydrogen Production Using a Bifunctional Non-Noble-Metal Catalyst.

Water electrolysis for green H2 production traditionally requires a stable supply of renewable electricity and pure water. However, spatial separation of renewables and water resources as well as water scarcity per capita in China necessitate unconventional water resources for electrolysis. Reclaimed water produced from municipal wastewater treatment plants is widely distributed with quality improved significantly in recent years, which may be a promising alternative to feedstock. However, there are few reports on the direct use of this wastewater for H2 production. Here, we present a direct electrolysis of reclaimed water for decentralized H2 production by developing a highly efficient and stable bifunctional 3D-dandelion-like (DL) vanadium(V)-doped CoP catalyst grown in situ on Ni foam (NF) in an alkaline electrolyzer. The V-CoP-DL/NF electrode decreases 6.5 and 25% overpotentials of the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), respectively, compared to noble-metal Pt (HER) and IrO2 (OER) catalysts, and exhibits exceptional durability, as a voltage required for overall reclaimed water splitting only increases by 80 mV (1.81-1.89 V) after 90 days of operation at a current density of 10 mA cm-2. The maximum stable current can reach 1000 mA cm-2. The impacts of potential pollutants in reclaimed water on the performance of electrolysis and the behavior of major wastewater ions in alkaline electrolyte were investigated. The observed exceptional performance is attributed to the catalyst's unique nanostructure, which enhances charge transfer and reactant/electrolyte diffusion. The in situ growth strategy further enhances the conductivity and stability of the catalyst. This work underscores the feasibility of utilizing reclaimed water instead of pure water as the feedstock for sustainable hydrogen production.

Employing machine learning for advanced gap imputation in solar power generation databases.

This research evaluates the application of advanced machine learning algorithms, specifically Random Forest and Gradient Boosting, for the imputation of missing data in solar energy generation databases and their impact on the size of green hydrogen production systems. The study demonstrates that the Random Forest model notably excels in harnessing solar data to optimize hydrogen production, achieving superior prediction accuracy with mean absolute error (MAE) of 0.0364, mean squared error (MSE) of 0.0097, root mean squared error (RMSE) of 0.0985, and a coefficient of determination (R2) of 0.9779. These metrics surpass those obtained from baseline models including linear regression and recurrent neural networks, highlighting the potential of accurate imputation to significantly enhance the efficiency and output of renewable energy systems. The findings advocate for the integration of robust data imputation methods in the design and operation of photovoltaic systems, contributing to the reliability and sustainability of energy resource management. Furthermore, this research makes significant contributions by showcasing the comparative performance of traditional machine learning models in handling data gaps, emphasizing the practical implications of data imputation on optimizing hydrogen production systems. By providing a detailed analysis and validation of the imputation models, this work offers valuable insights for future advancements in renewable energy technology.

Co-complexes on modified graphite surface for steady green hydrogen production from water at neutral pH.

Green hydrogen production from water is one attractive route to non-fossil fuel and a potential source of clean energy. Hydrogen is not only a zero-carbon energy source but can also be utilized as an efficient storage of electrical energy generated through various other sources, such as wind and solar. Cost-effective and environmentally benign direct hydrogen production through neutral water (∼pH 7) reduction is particularly challenging due to the low concentration of protons. There is currently a major need for easy-to-prepare, robust, as well as active electrode materials. Herein we report three new molecular electrodes that were prepared by anchoring commercially available, and environmentally benign cobalt-containing electrocatalysts with three different ligand frameworks (porphyrin, phthalocyanine, and corrin) on a structurally modified graphite foil surface. Under the studied reaction conditions (over 7 h at 22°C), the electrode with Co-porphyrin is the most efficient for the water reduction with starting ∼740 mV onset potential (OP) (vs. RHE, current density 2.5 mA/cm2) and a Tafel slope (TS) of 103 mV/dec. It is followed by the molecular electrodes having Co-phthalocyanine [825 mV (OP), 138 mV/dec (TS)] and Vitamin-B12 (Co-corrin moiety) [830 mV (OP), 194 mv/dec (TS)]. A clear time-dependent improvement (>200 mV over 3 h) in the H2 production overpotential with the Co-porphyrin-containing cathode was observed. This is attributed to the activation due to water coordination to the Co-center. A long-term chronopotentiometric stability test shows a steady production of hydrogen from all three cathode surfaces throughout seven hours, confirmed using an H2 needle sensor. At a current density of 10 mA/cm2, the Co-porphyrin-containing electrode showed a TOF value of 0.45 s-1 at 870 mV vs. RHE, whereas the Co-phthalocyanine and Vitamin-B12-containing electrodes showed 0.37 and 0.4 s-1 at 1.22 V and 1.15 V (vs. RHE), respectively.

Recent Progress on Stability of Layered Double Hydroxide-Based Catalysts for Oxygen Evolution Reaction.

Water electrolysis is regarded as one of the most viable technologies for the generation of green hydrogen. Nevertheless, the anodic oxygen evolution reaction (OER) constitutes a substantial obstacle to the large-scale deployment of this technology, due to the considerable overpotential resulting from the retardation kinetics associated with the OER. The development of low-cost, high-activity, and long-lasting OER catalysts has emerged as a pivotal research area. Layered double hydroxides (LDHs) have garnered significant attention due to their suitability for use with base metals, which are cost-effective and exhibit enhanced activity. However, the current performance of LDHs OER catalysts is still far from meeting the demands of industrial applications, particularly in terms of their long-term stability. In this review, we provide an overview of the causes for the deactivation of LDHs OER catalysts and present an analysis of the various mechanisms employed to improve the stability of these catalysts, including the synthesis of LDH ultrathin nanosheets, adjustment of components and doping, dissolution and redeposition, defect creation and corrosion, and utilization of advanced carbon materials.

Mixed-integer disciplined convex programming approach applied to the optimal energy supply of near-zero energy buildings.

Energy needs in the buildings sector accounts for 40 % of global energy demand. Therefore, the implementation of several renewable energy sources is necessary to reduce this demand. The design stage of a decentralized generation project requires quantifying the power to be installed and the energy forecast for each source throughout the useful life of the building. This study develops a novel optimization algorithm for a long-term economic function based on mixed-integer disciplined convex programming (MIDCP) which guarantees the sustainability of the building and its energy systems. The robust algorithm integrates risk management of intermittent sources, technical and economic parameters of selected technologies, and life cycle analysis (LCA) of different energy systems, including storage. Furthermore, the penetration of green hydrogen into the distributed generation mix is evaluated as an important contribution. Meteorological and energy demand variables of two antagonistic scenarios were also used as inputs to the algorithm. As a result, the optimal energy supply sizing for tertiary buildings in the two defined locations was obtained. The results of the simulations have achieved an optimal convergence of 100 % in the proposed scenarios, with a resolution time of 14 s and using a memory of about 183 MB. The simulations suggest a higher penetration of green hydrogen in scenarios where supply and investment costs decrease to gray hydrogen supply levels, reaching up to 81 % coverage of the thermal demand of the building. Hybrid energy systems under favorable conditions show a penetration of about 92 % within the distributed generation mix. The developed tool could enable decision-makers to optimally plan distributed generation projects in buildings based on economic, policy, and geographic conditions.

Applications of blockchain technology in peer-to-peer energy markets and green hydrogen supply chains: a topical review.

Countries all over the world are shifting from conventional and fossil fuel-based energy systems to more sustainable energy systems (renewable energy-based systems). To effectively integrate renewable sources of energy, multi-directional power flow and control are required, and to facilitate this multi-directional power flow, peer-to-peer (P2P) trading is employed. For a safe, secure, and reliable P2P trading system, a secure communication gateway and a cryptographically secure data storage mechanism are required. This paper explores the uses of blockchain (BC) in renewable energy (RE) integration into the grid. We shed light on four primary areas: P2P energy trading, the green hydrogen supply chain, demand response (DR) programmes, and the tracking of RE certificates (RECs). In addition, we investigate how BC can address the existing challenges in these domains and overcome these hurdles to realise a decentralised energy ecosystem. The main purpose of this paper is to provide an understanding of how BC technology can act as a catalyst for a multi-directional energy flow, ultimately revolutionising the way energy is generated, managed, and consumed.

Solar water splitting for hydrogen production using Zn electrodes: a green and sustainable approach.

The global transition towards clean and sustainable energy sources has led to an increasing interest in green hydrogen production. The present work focuses on the development and assessment of a solar-assisted green hydrogen production system. The basic objective of this work is to investigate the influence of solar radiation to drive the electrolysis process for green hydrogen production. The system design includes photovoltaic solar panel to capture solar radiation and convert it into electrical energy. This energy is further utilized to operate an electrolyzer with zinc electrodes that facilitates the water-splitting reaction resulting in the production of hydrogen gas. The solar panel outputs along with global radiation and other relevant climatic conditions are monitored. The hydrogen production is analyzed at three different voltages, i.e., 11 V, 12 V, and 13 V. After 60 min of operations, the maximum amount of hydrogen (2952 mL) is produced at 13 V. The fabricated electrolyzer has been found suitable and economically feasible.

Green Hydrogen Production by Low-Temperature Membrane-Engineered Water Electrolyzers, and Regenerative Fuel Cells.

Green hydrogen (H2) is an essential component of global plans to reduce carbon emissions from hard-to-abate industries and heavy transport. However, challenges remain in the highly efficient H2 production from water electrolysis powered by renewable energies. The sluggish oxygen evolution restrains the H2 production from water splitting. Rational electrocatalyst designs for highly efficient H2 production and oxygen evolution are pivotal for water electrolysis. With the development of high-performance electrolyzers, the scale-up of H2 production to an industrial-level related activity can be achieved. This review summarizes recent advances in water electrolysis such as the proton exchange membrane water electrolyzer (PEMWE) and anion exchange membrane water electrolyzer (AEMWE). The critical challenges for PEMWE and AEMWE are the high cost of noble-metal catalysts and their durability, respectively. This review highlights the anode and cathode designs for improving the catalytic performance of electrocatalysts, the electrolyte and membrane engineering for membrane electrode assembly (MEA) optimizations, and stack systems for the most promising electrolyzers in water electrolysis. Besides, the advantages of integrating water electrolyzers, fuel cells (FC), and regenerative fuel cells (RFC) into the hydrogen ecosystem are introduced. Finally, the perspective of electrolyzer designs with superior performance is presented.

Green Hydrogen Production From Non-Traditional Water Sources: A Sustainable Energy Solution With Hydrogen Storage and Distribution.

Green hydrogen development plays an essential role in creating a sustainable and environmentally conscious society while reducing reliance on traditional fossil fuels. Proton Exchange Membrane Water Electrolysers (PEMWEs), are sensitive to water quality, with various impurities impacting their efficiency, the quality of the hydrogen produced, and the device's lifespan. High-purity water is required for PEM electrolyzers; Type II water, which is required for commercial electrolyzers, must have a resistivity greater than 1 MΩ cm, sodium, and chloride concentrations less than 5 µg/L, and total organic carbon (TOC) content less than 50 parts per billion. The majority of electrolyzers operate on freshwater, or total dissolved solids (TDS) <0.5 g/kg, whereas brackish, rainwater, wastewater, and seawater have TDSs of 1-35 g/kg, 0.01-0.15 g/kg, 0.5-2 g/kg, and 35-45 g/kg, respectively. This critical review offers, for the first time, a comprehensive overview of relevant impurities in operating electrolyzers and their impact. The findings of this study indicate that electrolysis-based H2 processes are promising options that contribute to the H2 production capacity but require improvements to produce larger competitive volumes. In addition, the main challenges and opportunities for generating, storing, transporting, and distributing hydrogen, as well as large-scale adoption are discussed.

Green carbon and the chemical industry of the future.

The pressing need to mitigate climate change and drastically reduce environmental pollution and loss of biodiversity has precipitated a so-called energy transition aimed at the decarbonization of energy and defossilization of the chemical industry. The goal is a carbon-neutral (net-zero) society driven by sustainable energy and a circular bio-based economy relying on renewable biomass as the raw material. It will involve the use of green carbon, defined as carbon derived from terrestrial or aquatic biomass or organic waste, including carbon dioxide and methane emissions. It will also necessitate the accompanying use of green hydrogen that is generated by electrolysis of water using a sustainable source of energy, e.g. solar, wind or nuclear. Ninety per cent of the industrial chemicals produced in oil refineries are industrial monomers that constitute the precursors of a large variety of polymers, many of which are plastics. Primary examples of the latter are polyolefins such as polyethylene, polypropylene, polyvinyl chloride and polystyrene. Polyolefins are extremely difficult to recycle back to the olefin monomers and discarded polyolefin plastics generally end up as the plastic waste that is responsible for the degradation of our natural habitat. By contrast, waste biomass, such as the lignocellulose contained in forestry residues and agricultural waste, constitutes a renewable feedstock for the sustainable production of industrial monomers and the corresponding polymers. The latter could be the same polyolefins that are currently produced in oil refineries but a more attractive long-term alternative is to produce polyesters and polyamides that can be recycled back to the original monomers: a paradigm shift to a truly bio-based circular economy on the road to a net-zero chemical industry. This article is part of the discussion meeting issue 'Green carbon for the chemical industry of the future'.

Ultrahigh Single Au Atoms Loaded Porous Aromatic Frameworks for Enhanced Photocatalytic Hydrogen Evolution.

Supported single-atom catalysts (SACs) are promising in heterogeneous catalysis because of their atom economy, unusual transformations, and mechanistic clarity. The metal SAs loading, however, limits the catalytic efficiency. Herein, an in situ pre-metallated monomer-based preparation strategy is shown to achieve ultrahigh Au SAs loading in catalyst formations. The polymerization of single-atom loaded monomers yield a new porous aromatic framework (PAF-164) with Au SAs loading up to a record high 45.3 wt.%. SACs of Au-PAFs exhibit excellent photocatalytic activity in hydrogen (H2) evolution, and the H2 evolution rate of Au100%-SAs-PAF-164 can reach 4.82 mmol g-1 h-1 with great recyclability.

Photoelectrocatalytic Hydrogen Generation: Current Advances in Materials and Operando Characterization.

Photoelectrochemical (PEC) hydrogen generation is a promising technology for green hydrogen production yet faces difficulties in achieving stability and efficiency. The scientific community is pushing toward the development of new electrode materials and a better understanding of the underlying reactions and degradation mechanisms. Advances in photocatalytic materials are being pursued through the development of heterojunctions, tailored crystal nanostructures, doping, and modification of solid-solid and solid-electrolyte interfaces. Operando and in situ techniques are utilized to deconvolute the charge transfer mechanisms and degradation pathways. In this review, both materials development and Operando characterization are covered for advancing PEC technologies. The recent advances made in the PEC materials are first reviewed including the applied improvement strategies for transition metal oxides, nitrites, chalcogenides, Si, and group III-V semiconductor materials. The efficiency, stability, scalability, and electrical conductivity of the aforementioned materials along with the improvement strategies are compared. Next, the Operando characterization methods and cite selected studies applied for PEC electrodes are described. Operando studies are very successful in elucidating the reaction mechanisms, degradation pathways, and charge transfer phenomena in PEC electrodes. Finally, the standing challenges and the potential opportunities are discussed by providing recommendations for designing more efficient and electrochemically stable PEC electrodes.

Green H2 Generation from Seawater Deploying a Bifunctional Hetero-Interfaced CoS2-CoFe-Layered Double Hydroxide in an Electrolyzer.

This work illustrates the practicality and economic benefits of employing a hetero-interfaced electrocatalyst (CoS2@CoFe-LDH), containing cobalt sulphide and iron-cobalt double-layer hydroxide for large-scale hydrogen generation. Here, the rational synthesis and detailed characterization of the CoS2@CoFe-LDH material to unravel its unique heterostructure are essayed. The CoS2@CoFe-LDH operates as a bifunctional electrocatalyst to trigger both the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) in alkaline seawater (pH 14.0) while showcasing low overpotential requirement for HER (311 mV) and OER (450 mV) at 100 mA cm- 2 current density. The identical CoS2@CoFe-LDH on either electrode in an H-cell setup results in simultaneous H2 and O2 production from seawater with a ≈98% Faradaic efficiency with an applied potential of 1.96V@100 mA cm- 2. Next, this CoS2@CoFe-LDH catalyst is deployed on both sides of a membrane electrode assembly in a one-stack electrolyzer, which retains the intrinsic bifunctional reactivity of the catalyst to generate H2 and O2 in tandem from alkaline seawater with an impeccable energy efficiency (50 kWh kg-1-of-H2). This electrolyzer assembly can be directly linked with a Si-solar cell to produce truly green hydrogen with a solar-to-hydrogen generation efficiency of 15.88%, highlighting the potential of this converting seawater to hydrogen under solar irradiation.

Atomic-Level Observation of Potential-Dependent Variations at the Surface of an Oxide Catalyst during Oxygen Evolution Reaction.

Understanding the intricate details of the surface atomic structure and composition of catalysts during the oxygen evolution reaction (OER) is crucial for developing catalysts with high stability in water electrolyzers. While many notable studies highlight surface amorphization and reconstruction, systematic analytical tracing of the catalyst surface as a function of overpotential remains elusive. Heteroepitaxial (001) films of chemically stable and lattice-oxygen-inactive LaCoO3 are thus utilized as a model catalyst to demonstrate a series of atomic-resolution observations of the film surface at different anodic potentials. The first key finding is that atoms at the surface are fairly dynamic even at lower overpotentials. Angstrom-scale atomic displacements within the perovskite framework are identified below a certain potential level. Another noteworthy feature is that amorphization (or paracrystallization) with no long-range order is finally induced at higher overpotentials. In particular, surface analyses consistently support that the oxidation of lattice oxygen is coupled with amorphous phase formation at the high potentials. Theoretical calculations also reveal an upward shift of oxygen 2p states toward the Fermi level, indicating enhanced lattice oxygen activation when atom displacement occurs more extensively. This study emphasizes that the degradation behavior of OER catalysts can distinctively vary depending on the overpotential level.

A study on production of hydrogen using Al scrap feedstock.

A sustainable future, concerning the energy transformation of a country, heavily relies on the availability of energy resources, particularly renewables such as solar, wind, hydropower, and clean hydrogen. Among these, hydrogen is the most promising energy source due to its high calorific value, ranging between 120 and 140 MJ/kg. It has the potential to lead the market in various industries such as power generation, steel, chemical, petrochemical, and automotive. Significant research has been going on in hydrogen production technologies to reduce costs and improve competitiveness with fossil fuels. One such potential approach includes the use of metal-water reactions, which offer unique opportunities for producing clean hydrogen and other valuable byproducts. However, the quantity of hydrogen produced varies depending on the metal feedstock, type of electrolyte, and the activator or catalyst, used in combination with water. This latest work discusses recent progress on hydrogen production and the effects of variations in different parameters on the process, with a focus on aluminum (Al)-water reactions. Investigations have been conducted and reported on the effect of various activators with different concentrations, the quantity of aluminum scrap feedstock, and the volume of the electrolyte on the kinetics of the metal-water reactions and hydrogen production. Sodium hydroxide (NaOH) was observed to be more effective than potassium hydroxide (KOH) in promoting metal-water reactions. These activator-assisted metal-water reactions help produce clean hydrogen, along with other value-added products such as hydroxides. This work clearly sheds light on the potential utilization of industrial aluminum scrap as feedstock for producing clean hydrogen.

Electrocatalysis Using Cobalt Porphyrin Covalently Linked with Multi-Walled Carbon Nanotubes: Hydrazine Sensing and Hydrazine-Assisted Green Hydrogen Synthesis.

Acid-treated multi-walled carbon nanotube (MWCNT) covalently functionalized with cobalt triphenothiazine porphyrin (CoTriPTZ-OH) A3B type porphyrin, containing three phenothiazine moieties (represented as MWCNT-CoTriPTZ) is synthesized and characterized by various spectroscopic and microscopic techniques. The nanoconjugate, MWCNT-CoTriPTZ, exhibits a pair of distinct redox peaks due to the Co2+/Co3+ redox process in 0.1 M pH 7.0 phosphate buffer. Further, it electrocatalytically oxidizes hydrazine at a low overpotential with a high current. This property is advantageously utilized for the sensitive determination of hydrazine. The developed electrochemical sensor exhibits high sensitivity (0.99 µAµM-1cm-2), a low limit of detection (4.5 ppb), and a broad linear calibration range (0.1 µM to 3.0 mM) for the determination of hydrazine. Further, MWCNT-CoTriPTZ is exploited for hydrazine-assisted green hydrogen synthesis. The high efficiency of hydrazine oxidation is confirmed by the low onset potential (0.45 V (vs RHE)) and 0.60 V (vs RHE) at the current density of 10 mA.cm-2. MWCNT-CoTriPTZ displays a high current density (77.29 mA.cm-2) at 1.45 V (vs RHE).

A Two-Dimensional Cu-Based Nanosheet Producing Formic Acid Via Glycerol Electro-Oxidation in Alkaline Water.

The sluggishness of the complementary oxygen evolution reaction (OER) is reckoned as one of the major drawbacks in developing an energy-efficient green hydrogen-producing electrolyzer. An array of organic molecule oxidation reactions, operational at a relatively low potential, have been explored as a substitute for the OER. Glycerol oxidation reaction (GOR) has emerged as a leading alternative in this context because glycerol, a waste of biodiesel manufacturing, has become ubiquitous and accessible due to the significant growth in the biodiesel sector in recent decades. Additionally, the GOR generates several value-added organic compounds following oxidation that enhance the cost viability of the overall electrolysis reaction. In this study, a low-cost, room temperature operable, and energy-efficient synthetic methodology has been developed to generate unique two-dimensional CuO nanosheets (CuO NS). This CuO NS material was embedded on a carbon paper electrode, which showcased excellent glycerol electro-oxidation performance operational at a moderately low applied potential. Formic acid is the major product of this CuO NS-driven GOR (Faradaic efficiency ~80 %), as it is formed primarily via the glyceraldehyde oxidation pathway. This CuO NS material was also active for oxidizing other abundant alcohols like ethylene glycol and diethylene glycol, albeit at a relatively poor efficiency. Therefore, this robust CuO NS material has displayed the potential to be used in large-scale electrolyzers functioning with HER/GOR reactions.

Molecular Recognition between Carbon Dioxide and Biodegradable Hydrogel Models: A Density Functional Theory (DFT) Investigation.

In this research, we explore the potential of employing density functional theory (DFT) for the design of biodegradable hydrogels aimed at capturing carbon dioxide (CO2) and mitigating greenhouse gas emissions. We employed biodegradable hydrogel models, including polyethylene glycol, polyvinylpyrrolidone, chitosan, and poly-2-hydroxymethacrylate. The complexation process between the hydrogel and CO2 was thoroughly investigated at the ωB97X-D/6-311G(2d,p) theoretical level. Our findings reveal a strong affinity between the hydrogel models and CO2, with binding energies ranging from -4.5 to -6.5 kcal/mol, indicative of physisorption processes. The absorption order observed was as follows: chitosan > PVP > HEAC > PEG. Additionally, thermodynamic parameters substantiated this sequence and even suggested that these complexes remain stable up to 160 °C. Consequently, these polymers present a promising avenue for crafting novel materials for CO2 capture applications. Nonetheless, further research is warranted to optimize the design of these materials and assess their performance across various environmental conditions.

Investigating the Electronic Properties and Stability of Rh3 Clusters on Rutile TiO2 for Potential Photocatalytic Applications.

Addressing the pressing needs for alternatives to fossil fuel-based energy sources, this research explores the intricate interplay between Rhodium (Rh3) clusters and titanium dioxide (TiO2) to improve photocatalytic water splitting for the generation of eco-friendly hydrogen. This research applies the density functional theory (DFT) coupled with the Hartree-Fock theory to meticulously examine the structural and electronic structures of Rh3 clusters on TiO2 (110) interfaces. Considering the photocatalytic capabilities of TiO2 and its inherent limitations in harnessing visible light, the potential for metals such as Rh3 clusters to act as co-catalysts is assessed. The results show that triangular Rh3 clusters demonstrate remarkable stability and efficacy in charge transfer when integrated into rutile TiO2 (110), undergoing oxidation in optimal adsorption conditions and altering the electronic structures of TiO2. The subsequent analysis of TiO2 surfaces exhibiting defects indicates that Rh3 clusters elevate the energy necessary for the formation of an oxygen vacancy, thereby enhancing the stability of the metal oxide. Additionally, the combination of Rh3-cluster adsorption and oxygen-vacancy formation generates polaronic and localized states, crucial for enhancing the photocatalytic activity of metal oxide in the visible light range. Through the DFT analysis, this study elucidates the importance of Rh3 clusters as co-catalysts in TiO2-based photocatalytic frameworks, paving the way for empirical testing and the fabrication of effective photocatalysts for hydrogen production. The elucidated impact on oxygen vacancy formation and electronic structures highlights the complex interplay between Rh3 clusters and TiO2 surfaces, providing insightful guidance for subsequent studies aimed at achieving clean and sustainable energy solutions.

Modeling Ion Transport across Thin-Film Composite Membranes During Saltwater Electrolysis.

Affordable thin-film composite (TFC) membranes are a potential alternative to more expensive ion exchange membranes in saltwater electrolyzers used for hydrogen gas production. We used a solution-friction transport model to study how the induced potential gradient controls ion transport across the polyamide (PA) active layer and support layers of TFC membranes during electrolysis. The set of parameters was simplified by assigning the same size-related partition and friction coefficients for all salt ions through the membrane active layer. The model was fit to experimental ion transport data from saltwater electrolysis with 600 mM electrolytes at a current density of 10 mA cm-2. When the electrolyte concentration and current density were increased, the transport of major charge carriers was successfully predicted by the model. Ion transport calculated using the model only minimally changed when the negative active layer charge density was varied from 0 to 600 mM, indicating active layer charge was not largely responsible for controlling ion crossover during electrolysis. Based on model simulations, a sharp pH gradient was predicted to occur within the supporting layer of the membrane. These results can help guide membrane design and operation conditions in water electrolyzers using TFC membranes.