scholarly journals Single Boron Atom Anchored on Graphitic Carbon Nitride Nanosheet (B/g-C2N) as A Photocatalyst for Nitrogen Fixation: A First-Principles Study

2021 ◽  
Author(s):  
Hao-Ran Zhu ◽  
Jia-Liang Chen ◽  
Shi-Hao Wei
Keyword(s):  
Nitrogen Fixation ◽  
Boron Atom ◽  
First Principles ◽  
Carbon Nitride ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
First Principles Study

Metal-doped graphitic carbon nitride (g-C3N4) as selective NO2 sensors: A first-principles study

2018 ◽  
Vol 455 ◽  
pp. 1116-1122 ◽  
Author(s):  
Hong-ping Zhang ◽  
Aijun Du ◽  
Neha S. Gandhi ◽  
Yan Jiao ◽  
Yaping Zhang ◽  
...  
Keyword(s):  
First Principles ◽  
Carbon Nitride ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
First Principles Study ◽  
Metal Doped

Adjustable electronic performances and redox ability of a g-C3N4 monolayer by adsorbing nonmetal solute ions: a first principles study

2016 ◽  
Vol 4 (38) ◽  
pp. 14827-14838 ◽  
Author(s):  
S. Lu ◽  
Z. W. Chen ◽  
C. Li ◽  
H. H. Li ◽  
Y. F. Zhao ◽  
...  
Keyword(s):  
Water Splitting ◽  
Chemical Bond ◽  
First Principles ◽  
Carbon Nitride ◽  
Hydrogen Generation ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Photocatalytic Water Splitting ◽  
First Principles Study ◽  
Redox Ability

During the process of hydrogen generation via photocatalytic water splitting, solute ions may be adsorbed on the surface of the graphitic carbon nitride (g-C3N4) monolayer, modifying its electronic and optical performances, as well as its redox ability due to chemical bond relaxation.

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