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Updated: Jul 17, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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在PdMLPt111) 电极上的CO2减少过程中对HCOOH和CO形成的阳离子的影响

Chunmiao Ye1, Federico Dattila2, Xiaoting Chen1

  • 1Leiden Institute of Chemistry, Leiden University, 2300 RA Leiden, The Netherlands.

Journal of the American Chemical Society
|August 31, 2023
PubMed
概括

电离子通过促进CO2激活和化物形成,增强Pd-Pt催化剂上的电化学CO2降解 (CO2RR) 形成 (HCOOH) 和CO. 这种效应维持了较温和的酸盐产量.

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