Catalysts | Free Full-Text | First-Principles Modeling in Heterogeneous Electrocatalysis
Finite Bias Calculations to Model Interface Dipoles in Electrochemical Cells at the Atomic Scale
PDF] From absolute potentials to a generalized computational standard hydrogen electrode for aqueous and non-aqueous solvents. | Semantic Scholar
Theoretical Hydrogen Electrode for ORR S. Sinthika. - ppt download
Principles of the pH-value measurement with hydrogen electrodes - Gaskatel
RSC_CP_C3CP51083B 3..7
Fundamental Atomic Insight in Electrocatalysis | SpringerLink
Computational examination of the kinetics of electrochemical nitrogen reduction and hydrogen evolution on a tungsten electrode - ScienceDirect
Computational electrocatalysis: methods and fundamental applications on CO2 reduction and formic acid oxidation
PDF] From absolute potentials to a generalized computational standard hydrogen electrode for aqueous and non-aqueous solvents. | Semantic Scholar
First-Principles Modeling in Heterogeneous Electrocatalysis
Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions | Nature Communications
First-Principles Modeling in Heterogeneous Electrocatalysis
Multifunctional electrocatalyst PtM with low Pt loading and high activity towards hydrogen and oxygen electrode reactions: A computational study - ScienceDirect
Frontiers | The Sabatier Principle in Electrocatalysis: Basics, Limitations, and Extensions
Electrocatalytic Hydrogen Evolution Using A Molecular Antimony Complex under Aqueous Conditions: An Experimental and Computational Study on Main‐Group Element Catalysis - Williams - 2022 - Chemistry – A European Journal - Wiley Online Library
Computational examination of the kinetics of electrochemical nitrogen reduction and hydrogen evolution on a tungsten electrode - ScienceDirect
Reversible vs. standard hydrogen electrode scale in interfacial electrochemistry from a theoretician's atomistic point of view | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage
Reconciling the Experimental and Computational Hydrogen Evolution Activities of Pt(111) through DFT-Based Constrained MD Simulations | ACS Catalysis
First-Principles Modeling in Heterogeneous Electrocatalysis
Free energy diagram of the HER on preferential sites of the studied... | Download Scientific Diagram
Free energy diagram for the electrochemical reduction of CO 2 to CH 4... | Download Scientific Diagram
Reconciling the Experimental and Computational Hydrogen Evolution Activities of Pt(111) through DFT-Based Constrained MD Simulations | ACS Catalysis