Surface charging activated mechanism change: A computational study of O, CO, and CO2 interactions on

• 作 者: Ilker Tezsevin Mauritius C.M.v
• 机 构: DIFFER-DutchInstituteforFundamentalEnergyResearch,CCER-CenterforComputationalEnergyResearch,Departme
• 出 处: 能源化学:英文版
• 发表日期: 2020年11期
• 关键词: Density functional theory CO2 reduction Silver electrode Surface charge
• 基金项目: part of the European project KEROGREEN,which has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under Grant Agreement no.763909,funding from the initiative“C

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