ArticleNano-micro letters2024
Fundamental Understanding of Hydrogen Evolution Reaction on Zinc Anode Surface: A First-Principles Study.
Article in Nano-micro letters, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Decoupling proton reactivity from ZnProceedings of the National Academy of Sciences of the United States of America · 2026Article
- Bioinspired Hierarchical Hydrogel Electrolyte for Ultralong-Life Flexible Zinc-Ion Batteries.Nano-micro letters · 2026Article
- Three-dimensional and nanoscale resolved hierarchical structure of electroplated zinc complex in aqueous zinc battery.National science review · 2026Article
- Reversible polarization-enabled hydrogen evolution reaction on two-dimensional ferroelectric CuChemical science · 2026Article
- Electrochemical Corrosion and Safety Hazards in Sustainable Batteries: Corrosion Mechanisms, Safety Challenges, and Protection.Nano-micro letters · 2026Review
- Probing Electrode-Electrolyte Synergy and Bottleneck Breakthrough of Zinc-Ion Capacitors from Two Key Configurations.Nano-micro letters · 2026Review
- Rational Electrolyte Structure Engineering for Highly Reversible Zinc Metal Anode in Aqueous Batteries.Nano-micro letters · 2026Review
- Challenges and Opportunities for Rechargeable Aqueous Sn Metal Batteries.Advanced materials (Deerfield Beach, Fla.) · 2025Review
- Molecular Damping Effect of Trace Additives Enhances Zinc Anode Stability Under High Depth of Discharge.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- Structure-Function Relationships of Biomass-Derived Materials for Zinc Metal Protection.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Review
- A DFT study on hydrogen diffusion across zinc surfaces at low coverage.Scientific reports · 2025Article
- Highly textured metal anodes for stable aqueous batteries: Fabrication and characterization.Science advances · 2025Article
- Tailoring the Solvation of Aqueous Zinc Electrolytes by Balancing Kosmotropic and Chaotropic Ions.ACS nano · 2025Article
- The Introduction of a BaTiOInternational journal of molecular sciences · 2024Article
- Rescuing zinc anode-electrolyte interface: mechanisms, theoretical simulations andChemical science · 2024Review
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9 authors.
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No grant is acknowledged in the PubMed record.
Abstract
Hydrogen evolution reaction (HER) has become a key factor affecting the cycling stability of aqueous Zn-ion batteries, while the corresponding fundamental issues involving HER are still unclear. Herein, the reaction mechanisms of HER on various crystalline surfaces have been investigated by first-principle calculations based on density functional theory. It is found that the Volmer step is the rate-limiting step of HER on the Zn (002) and (100) surfaces, while, the reaction rates of HER on the Zn (101), (102) and (103) surfaces are determined by the Tafel step. Moreover, the correlation between HER activity and the generalized coordination number ([Formula: see text]) of Zn at the surfaces has been revealed. The relatively weaker HER activity on Zn (002) surface can be attributed to the higher [Formula: see text] of surface Zn atom. The atomically uneven Zn (002) surface shows significantly higher HER activity than the flat Zn (002) surface as the [Formula: see text] of the surface Zn atom is lowered. The [Formula: see text] of surface Zn atom is proposed as a key descriptor of HER activity. Tuning the [Formula: see text] of surface Zn atom would be a vital strategy to inhibit HER on the Zn anode surface based on the presented theoretical studies. Furthermore, this work provides a theoretical basis for the in-depth understanding of HER on the Zn surface.
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