Surface charging activated mechanism change: A computational study of O, CO, and CO2 interactions on Ag electrodes
Abstract
Electrocatalytic and plasma-activated processes receive increasing attention in catalysis. Density functional theory (DFT) calculations are state-of-the-art tools for the fundamental study of reaction mechanisms and predicting the performance of catalytic materials. Proper application of DFT-based methods is crucial when investigating charge-doped electrode surfaces during electrocatalytic and plasma-activated reactions. Here, as a model...
Paper Details
Title
Surface charging activated mechanism change: A computational study of O, CO, and CO2 interactions on Ag electrodes
Published Date
Nov 1, 2020
Journal
Volume
50
Pages
307 - 313
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Notes
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