scholarly journals The charge regulation of electronic structure and optical properties of graphitic carbon nitride under strain

RSC Advances ◽  
2019 ◽  
Vol 9 (13) ◽  
pp. 7464-7468 ◽  
Author(s):  
Hengshuai Li ◽  
Haiquan Hu ◽  
Chenglin Bai ◽  
Chunjiang Bao ◽  
Feng Guo ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Density Functional ◽  
Carbon Nitride ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Charge Regulation ◽  
Hybrid Density Functional

The electronic structure of the graphitic carbon nitride (g-C6N6) under strain was obtained using the hybrid density functional HSE06 with a larger computational workload.

scholarly journals DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties

RSC Advances ◽  
2021 ◽  
Vol 11 (14) ◽  
pp. 7779-7789 ◽  
Author(s):  
Asmat Ullah Khan ◽  
Rasheed Ahmad Khera ◽  
Naveed Anjum ◽  
Rao Aqil Shehzad ◽  
Saleem Iqbal ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
Nonlinear Optical ◽  
Carbon Nitride ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Dft Study ◽  
Nlo Properties ◽  
Non Linear ◽  
Linear Optical Properties

DFT calculations are carried out to investigate nonlinear optical (NLO) properties of superhalogen (BCl4) and superalkali (NLi4) doped graphitic carbon nitride (GCN).

Band gap-tunable potassium doped graphitic carbon nitride with enhanced mineralization ability

2015 ◽  
Vol 44 (3) ◽  
pp. 1084-1092 ◽  
Author(s):  
Shaozheng Hu ◽  
Fayun Li ◽  
Zhiping Fan ◽  
Fei Wang ◽  
Yanfeng Zhao ◽  
...  
Keyword(s):  
Optical Properties ◽  
Photocatalytic Degradation ◽  
Crystal Lattice ◽  
Band Gap ◽  
Carbon Nitride ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Structural And Optical Properties

Potassium doped into the g-C3N4 crystal lattice can tune the positions of the CB and VB potentials, influence the structural and optical properties and thus improve the photocatalytic degradation and mineralization ability.

Computational studies on magnetism and the optical properties of transition metal embedded graphitic carbon nitride sheets

2014 ◽  
Vol 2 (37) ◽  
pp. 7943-7951 ◽  
Author(s):  
Dibyajyoti Ghosh ◽  
Ganga Periyasamy ◽  
Bradraj Pandey ◽  
Swapan K. Pati
Keyword(s):  
Optical Properties ◽  
Transition Metal ◽  
Carbon Nitride ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Computational Studies ◽  
Memory Devices

Transition metal embedded g-C3N4 sheets demonstrate promising multi usage in various fields such as memory devices, photocatalysis.

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