Unravelling the adsorption and electroreduction performance of CO2 and N2 over defective and B, P, Si-doped C3Ns: a DFT study

Wang, Dan Dan; Liu, Xueting; Yang, Huiru; Zhao, Zihan; Liu, Yucheng; Qu, Xin; Yang, Lihua; Feng, Ming; Sun, Zaicheng

doi:10.1039/d3cp02106h

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d3cp02106h

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Unravelling the adsorption and electroreduction performance of CO₂ and N₂ over defective and B, P, Si-doped C₃Ns: a DFT study

Dan Dan Wang

Xueting Liu

Huiru Yang

et al.

Abstract: Two-dimensional carbon-based materials have great potential for electrocatalysis. Herein, we screen 12 defective and doped C3N nanosheets by evaluating their CO2RR and NRR activity and selectivity vs HER based on density...

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Understanding of strain effect on Mo-based MXenes for electrocatalytic CO2 reduction

Gao,

Xu,

Liu

et al. 2024

Applied Surface Science

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Understanding of strain effect on Mo-based MXenes for electrocatalytic CO2 reduction

Gao,

Xu,

Liu

et al. 2024

Applied Surface Science

View full text Add to dashboard Cite

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Unravelling the adsorption and electroreduction performance of CO₂ and N₂ over defective and B, P, Si-doped C₃Ns: a DFT study

Abstract: Two-dimensional carbon-based materials have great potential for electrocatalysis. Herein, we screen 12 defective and doped C3N nanosheets by evaluating their CO2RR and NRR activity and selectivity vs HER based on density...

Cited by 1 publication

References 58 publications

Understanding of strain effect on Mo-based MXenes for electrocatalytic CO2 reduction

Understanding of strain effect on Mo-based MXenes for electrocatalytic CO2 reduction

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