Rational design of dual-metal-site catalysts for electroreduction of carbon dioxide

2020 ◽  
Vol 8 (31) ◽  
pp. 15809-15815 ◽  
Author(s):  
Gan Luo ◽  
Yu Jing ◽  
Yafei Li
Keyword(s):  
Carbon Dioxide ◽  
Rational Design ◽  
Metal Site ◽  
Scaling Relationship ◽  
Dual Metal

Dual-metal-site catalysts could exhibit superior activity for CO2 electroreduction to CO due to the breaking of scaling relationship.

Rational design of Cu3PdN nanocrystals for selective electroreduction of carbon dioxide to formic acid

2021 ◽  
Vol 586 ◽  
pp. 491-497
Author(s):  
Jingchun Jia ◽  
Xiaokai Hao ◽  
Ying Chang ◽  
Meilin Jia ◽  
Zhenhai Wen
Keyword(s):  
Carbon Dioxide ◽  
Formic Acid ◽  
Rational Design

Rational design of carbon-based metal-free catalysts for electrochemical carbon dioxide reduction: A review

2019 ◽  
Vol 36 ◽  
pp. 95-105 ◽  
Author(s):  
Song Liu ◽  
Hongbin Yang ◽  
Xiong Su ◽  
Jie Ding ◽  
Qing Mao ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Rational Design ◽  
Carbon Dioxide Reduction ◽  
Metal Free ◽  
Carbon Based

Breaking the scaling relationship via dual metal doping in a cobalt spinel for the OER: a computational prediction

2020 ◽  
Vol 22 (33) ◽  
pp. 18672-18680
Author(s):  
Yikun Kang ◽  
Feiran Zhang ◽  
Bowen Liu ◽  
Yuanqing Sun ◽  
Xiao Zhang ◽  
...  
Keyword(s):  
Computational Prediction ◽  
Metal Doping ◽  
Cobalt Spinel ◽  
Scaling Relationship ◽  
Dual Metal

The scaling relationship in the OER is found to be broken on a reconstructed Co3O4(110) surface via dual metal doping.

Rational design of a novel indole-based microporous organic polymer: enhanced carbon dioxide uptake via local dipole–π interactions

2016 ◽  
Vol 4 (7) ◽  
pp. 2517-2523 ◽  
Author(s):  
Guanjun Chang ◽  
Zhenfang Shang ◽  
Tao Yu ◽  
Li Yang
Keyword(s):  
Carbon Dioxide ◽  
Rational Design ◽  
Organic Polymer ◽  
Π Interactions ◽  
Carbon Dioxide Uptake

An indole-based microporous organic polymer (PINK) is achieved and it exhibits good performance for carbon dioxide uptake via the local dipole–π interactions.

The synergetic effect of aqua ligand and metal site on performance of single-atom catalysts in H2O2 synthesis: a Density Functional Theory Study

2022 ◽  
Author(s):  
Xin-Chen Zhu ◽  
Wei Zhang ◽  
Qian Xia ◽  
Anfu Hu ◽  
Jian Jiang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Rational Design ◽  
Synergetic Effect ◽  
Density Functional Theory Calculations ◽  
Single Atom ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Metal Site ◽  
Coordination Field

To study the effect of coordination field on catalytic property is critical for rational design of outstanding electrocatalyst for H2O2 synthesis. Herein, via density functional theory calculations, we built an...

Theoretical Insights into Dual-Metal-Site Catalysts for the Nonoxidative Coupling of Methane

ACS Catalysis ◽  
2021 ◽  
pp. 13149-13159
Author(s):  
Zheng-Qing Huang ◽  
You-Tao Chen ◽  
Chun-Ran Chang ◽  
Jun Li
Keyword(s):  
Metal Site ◽  
Dual Metal

Rational Design of Efficient Palladium Catalysts for Electroreduction of Carbon Dioxide to Formate

ACS Catalysis ◽  
2016 ◽  
Vol 6 (12) ◽  
pp. 8115-8120 ◽  
Author(s):  
Anna Klinkova ◽  
Phil De Luna ◽  
Cao-Thang Dinh ◽  
Oleksandr Voznyy ◽  
Egor M. Larin ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Palladium Catalysts ◽  
Rational Design
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