Controlling defects in crystalline carbon nitride to optimize photocatalytic CO2 reduction

2020 ◽  
Vol 56 (42) ◽  
pp. 5641-5644 ◽  
Author(s):  
Han Li ◽  
Bicheng Zhu ◽  
Shaowen Cao ◽  
Jiaguo Yu
Keyword(s):  
Charge Carrier ◽  
Carbon Nitride ◽  
Co2 Reduction ◽  
Defect Engineering ◽  
Carrier Transfer

Defect engineering in crystalline carbon nitride promotes the charge carrier transfer and CO2 adsorption and activation for enhanced CO2 photoreduction.

scholarly journals In situ structural modification of graphitic carbon nitride by alkali halides and influence on photocatalytic activity

RSC Advances ◽  
2017 ◽  
Vol 7 (52) ◽  
pp. 32592-32600 ◽  
Author(s):  
Yan Xu ◽  
Yinyan Gong ◽  
Hui Ren ◽  
Wenbo Liu ◽  
Lengyuan Niu ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Charge Carrier ◽  
Basal Plane ◽  
Carbon Nitride ◽  
Structural Modification ◽  
Photocatalytic Performance ◽  
Alkali Halides ◽  
Thermal Condensation ◽  
Carrier Transfer

Introducing alkali halides during thermal condensation of melamine disturbs periodic ordering in the basal plane, reduces the band gap, and facilitates charge carrier transfer and separation, and thus enhances the photocatalytic performance of g-C3N4.

Double defects modified carbon nitride nanosheets with enhanced photocatalytic hydrogen evolution

2018 ◽  
Vol 20 (25) ◽  
pp. 17471-17476 ◽  
Author(s):  
Guilan Xu ◽  
Jianchen Shen ◽  
Shumei Chen ◽  
Yujie Gao ◽  
Huabin Zhang ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Hydrogen Evolution ◽  
Light Absorption ◽  
Carbon Nitride ◽  
Photocatalytic Performance ◽  
Photocatalytic Hydrogen Evolution ◽  
Carrier Transfer ◽  
Carbon Nitride Nanosheets

g-C3N4-based photocatalysts with double defects extend light absorption and promote charge carrier transfer and separation, significantly improving photocatalytic performance.

scholarly journals Improving the Catalytic CO2 Reduction on Cs2AgBiBr6 by Halide Defect Engineering: A DFT Study

Materials ◽  
2021 ◽  
Vol 14 (10) ◽  
pp. 2469
Author(s):  
Pengfei Chen ◽  
Yiao Huang ◽  
Zuhao Shi ◽  
Xingzhu Chen ◽  
Neng Li
Keyword(s):  
Gas Adsorption ◽  
Catalytic Reduction ◽  
Deep Level ◽  
Critical Role ◽  
Co2 Reduction ◽  
First Principles Calculation ◽  
Bandgap Energy ◽  
Practical Implementation ◽  
Co2 Conversion ◽  
Defect Engineering

Pb-free double halide perovskites have drawn immense attention in the potential photocatalytic application, due to the regulatable bandgap energy and nontoxicity. Herein, we first present a study for CO2 conversion on Pb-free halide perovskite Cs2AgBiBr6 under state-of-the-art first-principles calculation with dispersion correction. Compared with the previous CsPbBr3, the cell parameter of Cs2AgBiBr6 underwent only a small decrease of 3.69%. By investigating the adsorption of CO, CO2, NO, NO2, and catalytic reduction of CO2, we found Cs2AgBiBr6 exhibits modest adsorption ability and unsatisfied potential determining step energy of 2.68 eV in catalysis. We adopted defect engineering (Cl doping, I doping and Br-vacancy) to regulate the adsorption and CO2 reduction behavior. It is found that CO2 molecule can be chemically and preferably adsorbed on Br-vacancy doped Cs2AgBiBr6 with a negative adsorption energy of −1.16 eV. Studying the CO2 reduction paths on pure and defect modified Cs2AgBiBr6, Br-vacancy is proved to play a critical role in decreasing the potential determining step energy to 1.25 eV. Finally, we probe into the electronic properties and demonstrate Br-vacancy will not obviously promote the process of catalysis deactivation, as there is no formation of deep-level electronic states acting as carrier recombination center. Our findings reveal the process of gas adsorption and CO2 reduction on novel Pb-free Cs2AgBiBr6, and propose a potential strategy to improve the efficiency of catalytic CO2 conversion towards practical implementation.

A molecular approach to the synthesis of platinum-decorated mesoporous graphitic carbon nitride as selective CO2 reduction photocatalyst

2021 ◽  
Vol 50 ◽  
pp. 101574
Author(s):  
Minoo Tasbihi ◽  
Fernando Fresno ◽  
Ignacio Álvarez-Prada ◽  
Amitava Acharjya ◽  
Arne Thomas ◽  
...  
Keyword(s):  
Carbon Nitride ◽  
Co2 Reduction ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Molecular Approach

Carbon nitride derivatives as photocatalysts for the CO2 reduction reaction: computational study

2021 ◽  
Vol 23 (5) ◽  
pp. 3401-3406
Author(s):  
Siru Li ◽  
Yu Tian ◽  
Likai Yan ◽  
Zhongmin Su
Keyword(s):  
Carbon Nitride ◽  
Computational Study ◽  
Co2 Reduction ◽  
Environmental Problems ◽  
Reduction Reaction ◽  
Photocatalytic Reduction ◽  
Energy Crisis ◽  
Promising Strategy ◽  
Co2 Reduction Reaction

Photocatalytic reduction of CO2 to hydrocarbons is considered to be a promising strategy to solve the energy crisis and environmental problems.

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