Mechanistic Understanding and Design of Non-noble Metal-based Single-atom Catalysts Supported on Two-dimensional Materials for CO2 Electroreduction

Author(s):  
Ya Huang ◽  
Faisal Rehman ◽  
Mohsen Tamtaji ◽  
Xuning Li ◽  
Yanqiang Huang ◽  
...  

Single-atom catalysts (SACs) composing of low-cost, earth-abundant metals, with two-dimensional material supports have displayed great potential in a wide range of electrochemical reactions, including CO2 reduction reaction (CO2RR) to convert...

Author(s):  
Xu Hu ◽  
Sai Yao ◽  
Letian Chen ◽  
Xu Zhang ◽  
Menggai Jiao ◽  
...  

Electrochemical CO2 reduction reaction (CO2RR) is a very important approach to realize sustainable development. Single-atom catalysts show advantages in both homogeneous and heterogeneous catalysis, and considerable progress has been made...


2020 ◽  
Vol 5 ◽  
pp. 100038 ◽  
Author(s):  
Mahider Asmare Tekalgne ◽  
H.H. Do ◽  
A. Hasani ◽  
Q. Van Le ◽  
H.W. Jang ◽  
...  

2019 ◽  
Author(s):  
Sahithi Ananthaneni ◽  
Rees Rankin

<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>


Author(s):  
Danni Zhou ◽  
Xinyuan Li ◽  
Huishan Shang ◽  
Fengjuan Qin ◽  
Wenxing Chen

Metal-organic framework (MOF) derived single-atom catalysts (SACs), featured unique active sites and adjustable topological structures, exhibit high electrocatalytic performance on carbon dioxide reduction reactions (CO2RR). By modulating elements and atomic...


Author(s):  
Rajasekaran Elakkiya ◽  
Govindhan Maduraiveeran

Design of high-performance and Earth-abundant electrocatalysts for electrochemical carbon dioxide (CO2) reduction reaction (CO2RR) into fuels and value-added chemicals offers an emergent pathway for environment and energy sustainable concerns. Herein,...


Author(s):  
Kailei Cao ◽  
Yujin Ji ◽  
Shuxing Bai ◽  
Xiaoqing Huang ◽  
Youyong Li ◽  
...  

The direct production of syngas via electrochemical CO2 reduction reaction (CO2RR) is a highly potential process for its environmental-friendly and product adjustability advantages. However, it is challenging to synthesize syngas...


Catalysts ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 604
Author(s):  
Sahithi Ananthaneni ◽  
Zachery Smith ◽  
Rees B. Rankin

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) have been 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 graphene-supported WC (Tungsten Carbide) nanoclusters as an electrocatalyst for the CO2 reduction reaction. Specifically, we perform density functional theory (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 development of more efficient electrocatalysts for CO2 reduction.


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