Computational Design of Two-Dimensional Boron-Containing Compounds as Efficient Metal-free Electrocatalysts toward Nitrogen Reduction Independent of Heteroatom Doping.

Nong, Wei; Liang, Haikuan; Qin, Shihan; Li, Yan; Wang, Chengxin

Nong, Wei; Liang, Haikuan; Qin, Shihan; Li, Yan; Wang, Chengxin.

Affiliation

Nong W; State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-Sen (Zhongshan) University, Guangzhou 510275, People's Republic of China.
Liang H; State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-Sen (Zhongshan) University, Guangzhou 510275, People's Republic of China.
Qin S; State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-Sen (Zhongshan) University, Guangzhou 510275, People's Republic of China.
Li Y; State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-Sen (Zhongshan) University, Guangzhou 510275, People's Republic of China.
Wang C; State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-Sen (Zhongshan) University, Guangzhou 510275, People's Republic of China.

ACS Appl Mater Interfaces ; 12(45): 50505-50515, 2020 Nov 11.

Article in En | MEDLINE | ID: mdl-33136381

Key words

first-principles calculations; metal-free catalysts; nitrogen reduction reaction; novel boron-containing 2D crystals; surface functionalization

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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: ACS Appl Mater Interfaces Journal subject: BIOTECNOLOGIA / ENGENHARIA BIOMEDICA Year: 2020 Document type: Article Country of publication:

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