Two-Dimensional Transition Metal Porphyrin Sheets as a Promising Single-Atom-Catalyst for Dinitrogen Electrochemical Reduction to Ammonia: A Theoretical Study

2019 ◽  
Vol 124 (2) ◽  
pp. 1492-1499 ◽  
Author(s):  
Shiqiang Liu ◽  
Yawei Liu ◽  
Xiaoping Gao ◽  
Yujia Tan ◽  
Zhiwen Cheng ◽  
...  
Keyword(s):  
Transition Metal ◽  
Electrochemical Reduction ◽  
Theoretical Study ◽  
Single Atom ◽  
Two Dimensional ◽  
Metal Porphyrin

First-principles screening of single transition metal atoms anchored on two-dimensional C9N4 for the nitrogen reduction reaction

2021 ◽  
Vol 23 (14) ◽  
pp. 8784-8791
Author(s):  
Qingling Meng ◽  
Ling Zhang ◽  
Jinge Wu ◽  
Shuwei Zhai ◽  
Xiamin Hao ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
First Principles ◽  
Reduction Reaction ◽  
Single Atom ◽  
Two Dimensional ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Catalytically Active ◽  
Single Transition

Theoretical screening of transition metal atoms anchored on monolayer C9N4 as highly stable, catalytically active and selective single-atom catalysts for nitrogen fixation.

Electrocatalytic reduction of CO2 by two-dimensional transition metal porphyrin sheets

2019 ◽  
Vol 7 (19) ◽  
pp. 11944-11952 ◽  
Author(s):  
Jin-Hang Liu ◽  
Li-Ming Yang ◽  
Eric Ganz
Keyword(s):  
Transition Metal ◽  
Catalytic Performance ◽  
Two Dimensional ◽  
Electrocatalytic Reduction ◽  
Metal Porphyrin ◽  
Reduction Of Co2 ◽  
Excellent Catalytic Performance ◽  
Cu And Zn ◽  
Electrocatalytic Reduction Of Co2 ◽  
Monolayer Catalysts

The first transition metal series TM–PP monolayer catalysts exhibit excellent catalytic performance during the process of electroreduction of CO2. The products have 2e− CO (Sc, Mn and Ni), HCOOH (Cr, Fe, Co, Cu and Zn), 8e− CH4 (Ti and V), and the overpotential of the reaction can be as low as 0.127 V.

Electrochemical reduction of CO2 by single atom catalyst TM–TCNQ monolayers

2019 ◽  
Vol 7 (8) ◽  
pp. 3805-3814 ◽  
Author(s):  
Jin-Hang Liu ◽  
Li-Ming Yang ◽  
Eric Ganz
Keyword(s):  
Electrochemical Reduction ◽  
Reaction Mechanisms ◽  
Single Atom ◽  
Two Dimensional ◽  
Highly Efficient ◽  
Reduction Of Co2

Eight novel two-dimensional TM–TCNQ (TM = V–Zn) monolayers as highly efficient and selective electrocatalysts for CO2 reduction have been systematically studied and the underlying detailed reaction mechanisms have been revealed.

Efficient electroreduction of CO2 by single-atom catalysts two-dimensional metal hexahydroxybenzene frameworks: A theoretical study

2021 ◽  
Vol 550 ◽  
pp. 149389
Author(s):  
Guanru Xing ◽  
Lin Cheng ◽  
Kai Li ◽  
Yan Gao ◽  
Hao Tang ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Single Atom ◽  
Two Dimensional

scholarly journals Novel two-dimensional MOF as a promising single-atom electrocatalyst for CO2 reduction: A theoretical study

2020 ◽  
Vol 500 ◽  
pp. 143993 ◽  
Author(s):  
Qianyi Cui ◽  
Gangqiang Qin ◽  
Weihua Wang ◽  
K.R. Geethalakshmi ◽  
Aijun Du ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Co2 Reduction ◽  
Single Atom ◽  
Two Dimensional

CO2 electroreduction by transition metal-embedded two-dimensional C3N: A theoretical study

2021 ◽  
Vol 43 ◽  
pp. 101367
Author(s):  
Jing Zhang ◽  
Tongshuai Xu ◽  
Di Yuan ◽  
Junlong Tian ◽  
Dongwei Ma
Keyword(s):  
Transition Metal ◽  
Theoretical Study ◽  
Two Dimensional ◽  
Co2 Electroreduction

Theoretical study of the electrochemical reduction of CO2 on cerium dioxide supported palladium single atoms and nanoparticles

2021 ◽  
Author(s):  
Yan nv Guo ◽  
haiyan zhu ◽  
He Zhao ◽  
Qinfu Zhao ◽  
Caihua Zhou ◽  
...  
Keyword(s):  
Electrochemical Reduction ◽  
Cerium Dioxide ◽  
Theoretical Study ◽  
Catalytic Performance ◽  
Single Atom ◽  
Pd Nanoparticle ◽  
Single Atoms ◽  
Nanoparticle Clusters ◽  
Supported Palladium ◽  
Reduction Of Co2

Pd/CeO2 catalysts show superior catalytic performance owing to their optimal cycling activity and stability. In this study, single-atom Pd and eight-atoms Pd nanoparticle clusters were supported on the surface of...

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