Mechanisms of CO2 reduction into CO and formic acid on Fe (100): a DFT study

Mechanisms of CO2 reduction into CO and formic acid on Fe (100): a DFT study

Abstract Understanding the mechanism of CO2 reduction on iron is crucial for the design of more efficient and cheaper iron electrocatalyst for CO2 conversion. In the present study, we have employed spin-polarized density functional theory calculations within the generalized gradient approximation (D...

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Bibliographic Details
Main Authors: Caroline R. Kwawu, Albert Aniagyei, Destiny Konadu, Boniface Yeboah Antwi
Format: Article
Language:English
Published: SpringerOpen 2021-04-01
Series:Materials for Renewable and Sustainable Energy
Subjects:
RWGS
Mechanism
Hydrogenation
Carbon monoxide
Formic acid
Online Access:https://doi.org/10.1007/s40243-021-00194-w

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