First-Principles Study of High Temperature CO2 Electrolysis on Transition Metal Electrocatalysts
By Gu, Xiang-Kui; Carneiro, Juliana S. A.; Nikolla, Eranda
Published in Industrial & Engineering Chemistry Research
NULL
2017
Abstract
Electrochemical reduction of CO2 using the electrical energy generated from renewable sources has attracted increasing interest as a potential route for producing high energy molecules from CO2. In this contribution, high temperature electrochemical reduction of CO2 to CO on a series of transition metal electrocatalysts is studied using DFT calculations combined with microkinetic modeling under solid oxide electrolysis cells (SOECs) operating conditions. We show that CO2 dissociation via a two-electron transfer process into adsorbed CO and O2
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