How Cation Size Modulates Anion Effect in CO2 Electroreduction: Insights From Multiscale Modeling of Electrochemical Interface

This is the trajectory file for FEP simulation of CO2 adsorption process on Ni-N-C single active site within electric double layer with different cation ions(Li, Na, K, and Cs)

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-05-26
DOI
https://doi.org/10.5281/zenodo.15516208
Primary Topic
CO2 Reduction Techniques and Catalysts
Type
article
Field-Weighted Citation Impact
0.00
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article

How Cation Size Modulates Anion Effect in CO2 Electroreduction: Insights From Multiscale Modeling of Electrochemical Interface

Zenodo (CERN European Organization for Nuclear Research)
CO2 Reduction Techniques and Catalysts
article

How Cation Size Modulates Anion Effect in CO2 Electroreduction: Insights From Multiscale Modeling of Electrochemical Interface

article en

Abstract

This is the trajectory file for FEP simulation of CO2 adsorption process on Ni-N-C single active site within electric double layer with different cation ions(Li, Na, K, and Cs)

Zenodo (CERN European Organization for Nuclear Research)
Openalex Percentile: Top 67%
CO2 Reduction Techniques and Catalysts
DOIOpen Access PDFOpenAlex
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How Cation Size Modulates Anion Effect in CO2 Electroreduction: Insights From Multiscale Modeling of Electrochemical Interface · Zenodo (CERN European Organization for Nuclear Research) (2025) | TGRS Research Map | TGRS