Theoretical study of transition metal-doped β<sub>12</sub> borophene as a new single-atom catalyst for carbon dioxide electroreduction

Huang, Hongjie; Chen, Mingyao; Zhang, Rongxin; Ding, Yuxuan; Huang, Hong; Shen, Zhangfeng; Jiang, Lingchang; Ge, Zhigang; Jiang, Hongtao; Xu, Minhong; Wang, Yangang; Cao, Yongyong

doi:10.1039/d4cp00601a

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d4cp00601a

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Theoretical study of transition metal-doped β₁₂ borophene as a new single-atom catalyst for carbon dioxide electroreduction

Hongjie Huang,

Mingyao Chen,

Rongxin Zhang

et al.

Abstract: Among the 19 catalysts, Sc@β12-BM and Y@β12-BM were screened and easily reduced to C1 products (CH4 and CH3OH) and C2 products (CH3CH2OH).

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Theoretical study of transition metal-doped β₁₂ borophene as a new single-atom catalyst for carbon dioxide electroreduction

Abstract: Among the 19 catalysts, Sc@β12-BM and Y@β12-BM were screened and easily reduced to C1 products (CH4 and CH3OH) and C2 products (CH3CH2OH).

Cited by 0 publications

References 69 publications

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Theoretical study of transition metal-doped β12 borophene as a new single-atom catalyst for carbon dioxide electroreduction

Abstract: Among the 19 catalysts, Sc@β12-BM and Y@β12-BM were screened and easily reduced to C1 products (CH4 and CH3OH) and C2 products (CH3CH2OH).

Cited by 0 publications

References 69 publications

No citations

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Theoretical study of transition metal-doped β₁₂ borophene as a new single-atom catalyst for carbon dioxide electroreduction