Two-Electron Electrochemical Reduction of CO2 on B-Doped Ni–N–C Catalysts: A First-Principles Study

2021 ◽  
Vol 125 (35) ◽  
pp. 19247-19258
Author(s):  
Arifin Luthfi Maulana ◽  
Adhitya Gandaryus Saputro ◽  
Yusuf Prasetyo ◽  
Muhammad Haris Mahyuddin ◽  
Muhammad Iqbal ◽  
...  
Keyword(s):  
Electrochemical Reduction ◽  
First Principles ◽  
First Principles Study ◽  
Reduction Of Co2

Effect of 3d-transition metals doped in ZnO monolayers on the CO2 electrochemical reduction to valuable products: first principles study

2021 ◽  
Vol 550 ◽  
pp. 149380
Author(s):  
Pornsawan Sikam ◽  
Kaito Takahashi ◽  
Thantip Roongcharoen ◽  
Thanadol Jitwatanasirikul ◽  
Chirawat Chitpakdee ◽  
...  
Keyword(s):  
Transition Metals ◽  
Electrochemical Reduction ◽  
First Principles ◽  
First Principles Study

First-Principles Study of C–C Coupling Pathways for CO2 Electrochemical Reduction Catalyzed by Cu(110)

2021 ◽  
Vol 125 (4) ◽  
pp. 2464-2476
Author(s):  
Tung-Chun Kuo ◽  
Jia-Wei Chou ◽  
Min-Hsiu Shen ◽  
Zih-Siang Hong ◽  
Tzu-Hsuan Chao ◽  
...  
Keyword(s):  
Electrochemical Reduction ◽  
First Principles ◽  
First Principles Study

scholarly journals First-principles microkinetics simulations of electrochemical reduction of CO2 over Cu catalysts

2020 ◽  
Vol 335 ◽  
pp. 135665 ◽  
Author(s):  
Bart Zijlstra ◽  
Xue Zhang ◽  
Jin-Xun Liu ◽  
Ivo A.W. Filot ◽  
Zhiyou Zhou ◽  
...  
Keyword(s):  
Electrochemical Reduction ◽  
First Principles ◽  
Cu Catalysts ◽  
Reduction Of Co2

Graphene Supported Tungsten Carbide as Catalyst for Electrochemical Reduction of CO2

2019 ◽  
Author(s):  
Sahithi Ananthaneni ◽  
Rees Rankin
Keyword(s):  
Tungsten Carbide ◽  
Electrochemical Reduction ◽  
Low Cost ◽  
Co2 Reduction ◽  
Platinum Group Metal ◽  
Reduction Reaction ◽  
Metal Carbides ◽  
Depth Study ◽  
Reduction Of Co2 ◽  
Co2 Reduction Reaction

<div>Electrochemical reduction of CO2 to useful chemical and fuels in an energy efficient way is currently an expensive and inefficient process. Recently, low-cost transition metal-carbides (TMCs) are proven to exhibit similar electronic structure similarities to Platinum-Group-Metal (PGM) catalysts and hence can be good substitutes for some important reduction reactions. In this work, we test graphenesupported WC (Tungsten Carbide) nanocluster as an electrocatalyst for the CO2 reduction reaction. Specifically, we perform DFT studies to understand various possible reaction mechanisms and determine the lowest thermodynamic energy landscape of CO2 reduction to various products such as CO, HCOOH, CH3OH, and CH4. This in-depth study of reaction energetics could lead to improvements and develop more efficient electrocatalysts for CO2 reduction.<br></div>

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