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View article: High‐Performance Dendrite‐Free Lithium Textile Anodes Using Interfacial Interaction‐Mediated Ultrathin Metal Organic Framework Multilayers
High‐Performance Dendrite‐Free Lithium Textile Anodes Using Interfacial Interaction‐Mediated Ultrathin Metal Organic Framework Multilayers Open
Lithium (Li) metal batteries are among the most promising candidates for next‐generation high‐energy‐density battery systems. Their wider adoption, however, is hindered by safety and stability issues, primarily due to the uncontrollable gr…
View article: Magnetocrystalline Anisotropic Platinum–Palladium–Iron Ternary Intermetallic Alloy for Enhanced Fuel Cell Electrocatalysis
Magnetocrystalline Anisotropic Platinum–Palladium–Iron Ternary Intermetallic Alloy for Enhanced Fuel Cell Electrocatalysis Open
Ordered Pt‐based intermetallic alloys have emerged as promising candidates for oxygen reduction reaction (ORR) electrocatalysts in comparison to their disordered counterparts. Here, novel ferromagnetic PtPdFe ternary intermetallic alloys w…
View article: Dual‐Ionic Weakly Solvating Electrolyte Design Enables Efficient Fast‐Cycling of High‐Voltage Anion Shuttle Batteries
Dual‐Ionic Weakly Solvating Electrolyte Design Enables Efficient Fast‐Cycling of High‐Voltage Anion Shuttle Batteries Open
Electrolytes shape solvation structures that govern ionic transport, stability, and interfacial properties in energy storage systems. Sodium‐based dual‐ion shuttling systems offer high‐voltage and fast‐charging potential but face challenge…
View article: Ultrathin, Layer‐by‐Layer Assembled Lithiophilic Interlayers for Dendritic Growth‐Suppressed Lithium Metal Anodes
Ultrathin, Layer‐by‐Layer Assembled Lithiophilic Interlayers for Dendritic Growth‐Suppressed Lithium Metal Anodes Open
Lithium (Li) metal, recognized for its high energy potential, serves as a promising anode material in battery technologies. However, the growth of Li dendrites during charging and discharging cycles presents significant safety and durabili…
View article: Unraveling the Dynamic Evolution of Cu-N-C during Electrochemical CO2 reduction: A Constant-Potential Ab-Initio Molecular Dynamics study
Unraveling the Dynamic Evolution of Cu-N-C during Electrochemical CO2 reduction: A Constant-Potential Ab-Initio Molecular Dynamics study Open
Atomically dispersed Cu single atoms anchored on N-doped graphene (Cu-N-C) have demonstrated significant potential for the electrochemical CO2 reduction reaction (CO2RR) toward multi-carbon (C2+) products. However, their catalytic performa…
View article: Kinetic Origins of Limited C-C coupling on Dual-Atom Catalysts in Electrochemical CO2 reduction
Kinetic Origins of Limited C-C coupling on Dual-Atom Catalysts in Electrochemical CO2 reduction Open
Dual-atom catalysts (DACs) composed of two adjacent metal atoms have been widely investigated for the electrochemical CO2 reduction reaction (CO2RR) due to their high atomic efficiency, structural tunability, and promising electrocatalytic…
View article: Efficient H<sub>2</sub>O<sub>2</sub> Electrosynthesis in Acidic media via Multiscale Catalyst Optimization
Efficient H<sub>2</sub>O<sub>2</sub> Electrosynthesis in Acidic media via Multiscale Catalyst Optimization Open
Electrochemically generating hydrogen peroxide (H 2 O 2 ) from oxygen offers a more sustainable and cost‐effective alternative to conventional anthraquinone process. In alkaline conditions, H 2 O 2 is unstable as HO 2 − , and in neutral el…
View article: Enhanced Fe <sup>IV</sup> ═O Generation via Peroxymonosulfate Activation by an Edge‐Site Engineered Single‐Atom Iron Catalyst
Enhanced Fe <sup>IV</sup> ═O Generation via Peroxymonosulfate Activation by an Edge‐Site Engineered Single‐Atom Iron Catalyst Open
As an oxidant, the ferryl‐oxo complex (Fe IV ═O) offers excellent reactivity and selectivity for degrading recalcitrant organic contaminants. However, enhancing Fe IV ═O generation on heterogeneous surfaces remains challenging because the …
View article: Atomic-level Ru-Ir mixing in rutile-type (RuIr)O2 for efficient and durable oxygen evolution catalysis
Atomic-level Ru-Ir mixing in rutile-type (RuIr)O2 for efficient and durable oxygen evolution catalysis Open
The success of proton exchange membrane water electrolysis (PEMWE) depends on active and robust electrocatalysts to facilitate oxygen evolution reaction (OER). Heteroatom-doped-RuO x has emerged as a promising electrocatalysts because hete…
View article: Underlying Mechanism of Electrolyte Compositional Engineering Based on Additive Solvation‐Structure Governing Solid Electrolyte Interphase Formation in Lithium‐Ion Batteries
Underlying Mechanism of Electrolyte Compositional Engineering Based on Additive Solvation‐Structure Governing Solid Electrolyte Interphase Formation in Lithium‐Ion Batteries Open
Substantial efforts are dedicated to optimizing the additive dosage in the electrolyte and studying its effect on solid electrolyte interphase (SEI) formation in Li‐ion batteries (LIBs). This study reveals that the decomposition characteri…
View article: Chemical Bath Deposition of NiFe Alloy Anode for Efficient Alkaline Water Electrolyzer Integration
Chemical Bath Deposition of NiFe Alloy Anode for Efficient Alkaline Water Electrolyzer Integration Open
Green hydrogen production from water splitting is a feasible way for intermittent renewable energy storage and utilization, where the exploration and scale‐up preparation of high‐performance anodic oxygen evolution electrocatalysts are cri…
View article: Generative Language Model for Catalyst Discovery
Generative Language Model for Catalyst Discovery Open
Discovery of novel and promising materials is a critical challenge in the field of chemistry and material science, traditionally approached through methodologies ranging from trial-and-error to machine learning-driven inverse design. Recen…
View article: Electrifying HCOOH synthesis from CO <sub>2</sub> building blocks over Cu–Bi nanorod arrays
Electrifying HCOOH synthesis from CO <sub>2</sub> building blocks over Cu–Bi nanorod arrays Open
Precise electrochemical synthesis of commodity chemicals and fuels from CO 2 building blocks provides a promising route to close the anthropogenic carbon cycle, in which renewable but intermittent electricity could be stored within the gre…
View article: Unraveling the Harmonious Coexistence of Ruthenium States on a Self‐Standing Electrode for Enhanced Hydrogen Evolution Reaction
Unraveling the Harmonious Coexistence of Ruthenium States on a Self‐Standing Electrode for Enhanced Hydrogen Evolution Reaction Open
The development of cost‐effective, highly efficient, and durable electrocatalysts has been a paramount pursuit for advancing the hydrogen evolution reaction (HER). Herein, a simplified synthesis protocol was designed to achieve a self‐stan…
View article: Validating ΔΔG Selectivity Descriptor for Electrosynthesis of H<sub>2</sub>O<sub>2</sub> from Oxygen Reduction Reaction
Validating ΔΔG Selectivity Descriptor for Electrosynthesis of H<sub>2</sub>O<sub>2</sub> from Oxygen Reduction Reaction Open
Understanding selectivity trends is a crucial hurdle in the developing innovative catalysts for generating hydrogen peroxide through the two‐electron oxygen reduction reaction (2e‐ORR). The identification of selectivity patterns has been m…
View article: Crystallographically vacancy‐induced MOF nanosheet as rational single‐atom support for accelerating CO<sub>2</sub> electroreduction to CO
Crystallographically vacancy‐induced MOF nanosheet as rational single‐atom support for accelerating CO<sub>2</sub> electroreduction to CO Open
To attain a circular carbon economy and resolve CO 2 electroreduction technology obstacles, single‐atom catalysts (SACs) have emerged as a logical option for electrocatalysis because of their extraordinary catalytic activity. Among SACs, m…
View article: Vitamin C-induced CO2 capture enables high-rate ethylene production in CO2 electroreduction
Vitamin C-induced CO2 capture enables high-rate ethylene production in CO2 electroreduction Open
High-rate production of multicarbon chemicals via the electrochemical CO 2 reduction can be achieved by efficient CO 2 mass transport. A key challenge for C−C coupling in high-current-density CO 2 reduction is how to promote *CO formation …
View article: Tailoring cobalt spinel oxide with site-specific single atom incorporation for high-performance electrocatalysis
Tailoring cobalt spinel oxide with site-specific single atom incorporation for high-performance electrocatalysis Open
Ta 5+ dopants tend to stabilize on the surface of Co 3 O 4 , significantly increasing the surface Co 2+ species. This dopant-rich shell and the high density of surface Co 2+ provide active and protective layers, resulting in high-performan…
View article: Accelerated chemical science with AI
Accelerated chemical science with AI Open
The ASLLA Symposium focused on accelerating chemical science with AI. Discussions on data, new applications, algorithms, and education were summarized. Recommendations for researchers, educators, and academic bodies were provided.
View article: Data-driven discovery of electrocatalysts for CO2 reduction using active motifs-based machine learning
Data-driven discovery of electrocatalysts for CO2 reduction using active motifs-based machine learning Open
The electrochemical carbon dioxide reduction reaction (CO 2 RR) is an attractive approach for mitigating CO 2 emissions and generating value-added products. Consequently, discovery of promising CO 2 RR catalysts has become a crucial task, …
View article: Activating iodine redox by enabling single-atom coordination to dormant nitrogen sites to realize durable zinc–iodine batteries
Activating iodine redox by enabling single-atom coordination to dormant nitrogen sites to realize durable zinc–iodine batteries Open
The introduction of a single Ni atom into an inactive N-doped carbon matrix, through its role as an electrocatalyst, awakens the dormant N sites, significantly suppressing the polyiodide shuttle effect and enhancing iodine redox kinetics.
View article: Chemically Inspired Convolutional Neural Network using Electronic Structure Representation
Chemically Inspired Convolutional Neural Network using Electronic Structure Representation Open
In recent years, a development of appropriate crystal representations for accurate prediction of inorganic crystal properties has been considered as one of the essential tasks to accelerate materials discovery through high-throughput virtu…
View article: Promoting Oxygen Evolution Reaction Induced By Synergetic Geometric and Electronic Effects of Irco Thin-Film Electrocatalysts
Promoting Oxygen Evolution Reaction Induced By Synergetic Geometric and Electronic Effects of Irco Thin-Film Electrocatalysts Open
The advancement of water electrolysis technology has seemingly plateaued. Further advances require new strategies to address the key limitations of the oxygen evolution reaction: high overpotential and low stability of electrode materials.…