Molybdenum Atom-Mediated Salphen-Based Covalent Organic Framework as a Promising Electrocatalyst for the Nitrogen Reduction Reaction: A First-Principles Study

2021 ◽  
Author(s):  
Biswajit Ball ◽  
Priya Das ◽  
Pranab Sarkar
Keyword(s):  
First Principles ◽  
Reduction Reaction ◽  
Molybdenum Atom ◽  
Nitrogen Reduction ◽  
Covalent Organic Framework ◽  
First Principles Study ◽  
Organic Framework

First-Principles Study of Molecular Carbon Dioxide Adsorption in Covalent Organic Framework-112

2019 ◽  
Vol 11 (3) ◽  
pp. 317-324 ◽  
Author(s):  
Wei-Chao Zhang ◽  
Shu-Ting Zhang ◽  
Zhi Sun ◽  
Wei-Feng Sun ◽  
Li-Yong Zhang ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
First Principles ◽  
Carbon Dioxide Adsorption ◽  
Covalent Organic Framework ◽  
First Principles Study ◽  
Organic Framework

Boron-decorated C9N4 monolayers as promising metal-free catalysts for electrocatalytic nitrogen reduction reaction: a first-principles study

2020 ◽  
Vol 44 (2) ◽  
pp. 422-427 ◽  
Author(s):  
Jing Zhang ◽  
Yameng Zhao ◽  
Zhi Wang ◽  
Gui Yang ◽  
Junlong Tian ◽  
...  
Keyword(s):  
Electron Mobility ◽  
First Principles ◽  
Reduction Reaction ◽  
Nodal Line ◽  
High Electron ◽  
Ambient Conditions ◽  
High Electron Mobility ◽  
Nitrogen Reduction ◽  
Metal Free ◽  
First Principles Study

B decoration enables C9N4 monolayer, a novel nodal-line semimetal with high electron mobility, to efficiently catalyze electrocatalytic nitrogen reduction reaction under ambient conditions.

Sign in / Sign up

Export Citation Format

Share Document