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36 积分 2025-06-27 加入
Single transition metal atom stabilized on double metal carbide MXenes for hydrogen evolution reaction: a density functional theory study
3天前
已完结
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode
24天前
已完结
Generating Spectra from Ground-State Wave Functions: Unraveling Anharmonic Effects in the OH − ·H 2 O Vibrational Predissociation Spectrum
1个月前
已完结
Manipulating Valence‐Heterogeneous Pt Dual Sites via Metal‐Support Interactions for Highly Efficient Alkaline Hydrogen Evolution
1个月前
已完结
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations
1个月前
已完结
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode
1个月前
已完结
Theoretical study of the mechanism of the hydrogen evolution reaction on the V2C MXene: Thermodynamic and kinetic aspects
1个月前
已完结
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
2个月前
已完结
Electrocatalytic hydrogen evolution performance of modified Ti3C2O2 doped with non-metal elements: A DFT study
2个月前
已完结
Tuning MXenes Towards Their Use in Photocatalytic Water Splitting
2个月前
已完结
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