Two-Dimensional Cobaltporphyrin-based Cobalt–Organic Framework as an Efficient Photocatalyst for CO2 Reduction Reaction: A Computational Study

2019 ◽  
Vol 7 (16) ◽  
pp. 14102-14110 ◽  
Author(s):  
Cong Wang ◽  
Xing-Man Liu ◽  
Min Zhang ◽  
Yun Geng ◽  
Liang Zhao ◽  
...  
Keyword(s):  
Computational Study ◽  
Co2 Reduction ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Co2 Reduction Reaction ◽  
Organic Framework

An intriguing window opened by a metallic two-dimensional Lindqvist-cobaltporphyrin organic framework as an electrochemical catalyst for the CO2 reduction reaction

2020 ◽  
Vol 8 (29) ◽  
pp. 14807-14814 ◽  
Author(s):  
Cong Wang ◽  
Chang-Yan Zhu ◽  
Min Zhang ◽  
Yun Geng ◽  
Yang-Guang Li ◽  
...  
Keyword(s):  
Electrocatalytic Activity ◽  
Co2 Reduction ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Electrochemical Catalyst ◽  
Co2 Reduction Reaction ◽  
Organic Framework

2D Co–PMOF, through the integration of electron-rich reductive Lindqvist-type POMs with cobaltporphyrins, exhibits superior electrocatalytic activity for CO2 reduction to CH4 due to the low theoretical driven potential (0.41 V).

Carbon nitride derivatives as photocatalysts for the CO2 reduction reaction: computational study

2021 ◽  
Vol 23 (5) ◽  
pp. 3401-3406
Author(s):  
Siru Li ◽  
Yu Tian ◽  
Likai Yan ◽  
Zhongmin Su
Keyword(s):  
Carbon Nitride ◽  
Computational Study ◽  
Co2 Reduction ◽  
Environmental Problems ◽  
Reduction Reaction ◽  
Photocatalytic Reduction ◽  
Energy Crisis ◽  
Promising Strategy ◽  
Co2 Reduction Reaction

Photocatalytic reduction of CO2 to hydrocarbons is considered to be a promising strategy to solve the energy crisis and environmental problems.

Atomic regulation of metal-organic framework derived carbon-based single-atom catalysts for electrochemical CO2 reduction reaction

2021 ◽  
Author(s):  
Danni Zhou ◽  
Xinyuan Li ◽  
Huishan Shang ◽  
Fengjuan Qin ◽  
Wenxing Chen
Keyword(s):  
Active Sites ◽  
Metal Organic Framework ◽  
Co2 Reduction ◽  
Carbon Dioxide Reduction ◽  
Reduction Reaction ◽  
Single Atom ◽  
Electrochemical Co2 Reduction ◽  
Metal Organic ◽  
Co2 Reduction Reaction ◽  
Organic Framework

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...

scholarly journals Two-dimensional materials and metal-organic frameworks for the CO2 reduction reaction

2020 ◽  
Vol 5 ◽  
pp. 100038 ◽  
Author(s):  
Mahider Asmare Tekalgne ◽  
H.H. Do ◽  
A. Hasani ◽  
Q. Van Le ◽  
H.W. Jang ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Co2 Reduction ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Two Dimensional Materials ◽  
Metal Organic ◽  
Co2 Reduction Reaction

A highly efficient Z-scheme B-doped g-C3N4/SnS2 photocatalyst for CO2 reduction reaction: a computational study

2018 ◽  
Vol 6 (42) ◽  
pp. 21056-21063 ◽  
Author(s):  
Yue-Lin Wang ◽  
Yu Tian ◽  
Zhong-Ling Lang ◽  
Wei Guan ◽  
Li-Kai Yan
Keyword(s):  
Photocatalytic Activity ◽  
Computational Study ◽  
Co2 Reduction ◽  
Reduction Reaction ◽  
Highly Efficient ◽  
Co2 Reduction Reaction

The CO2 reduction reaction on Z-scheme B-doped g-C3N4/SnS2 was investigated by DFT, exhibiting a highly efficient photocatalytic activity.

Two‐dimensional Metal‐organic Frameworks for Electrochemical CO2 Reduction Reaction

ChemCatChem ◽  
2021 ◽  
Author(s):  
Tingting Zhan ◽  
Yingbing Zou ◽  
Ying Yang ◽  
Xiuling Ma ◽  
Zhangjing Zhang ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Co2 Reduction ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Electrochemical Co2 Reduction ◽  
Metal Organic ◽  
Co2 Reduction Reaction

Enhancing Selectivity through Decrypting the Uncoordinated Zirconium Sites in MOF Electrocatalysts

2021 ◽  
Author(s):  
Xiang-Da Zhang ◽  
Ling-Rui Huang ◽  
Jian-Xiang Wu ◽  
Zhi-Yuan Gu
Keyword(s):  
Metal Organic Framework ◽  
Co2 Reduction ◽  
Reduction Reaction ◽  
Metal Organic ◽  
Co2 Reduction Reaction ◽  
Organic Framework

Zirconium (Zr)-based porphyrinic metal-organic framework (PCN-223-M) were employed as the electrocatalysts to explore the effect of uncoordinated Zr sites on the performance of CO2 reduction reaction (CO2RR). PCN-223-AA with the...

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

2021 ◽  
Author(s):  
Ya Huang ◽  
Faisal Rehman ◽  
Mohsen Tamtaji ◽  
Xuning Li ◽  
Yanqiang Huang ◽  
...  
Keyword(s):  
Low Cost ◽  
Co2 Reduction ◽  
Reduction Reaction ◽  
Single Atom ◽  
Two Dimensional ◽  
Co2 Electroreduction ◽  
Wide Range ◽  
Two Dimensional Materials ◽  
Earth Abundant ◽  
Co2 Reduction Reaction

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...

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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