Transition Metals Embedded Two-Dimensional Square Tetrafluorotetracyanoquinodimethane Monolayers as a Class of Novel Electrocatalysts for Nitrogen Reduction Reaction.

Lv, Sheng-Yao; Li, Guoliang; Yang, Li-Ming

Lv, Sheng-Yao; Li, Guoliang; Yang, Li-Ming.

Affiliation

Lv SY; Hubei Key Laboratory of Bioinorganic Chemistry and Materia Medica; Key Laboratory of Material Chemistry for Energy Conversion and Storage, Ministry of Education; Hubei Key Laboratory of Materials Chemistry and Service Failure; Hubei Engineering Research Center for Biomaterials and Medical Protective
Li G; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education; Center for Computational Quantum Chemistry, School of Chemistry, South China Normal University, Guangzhou 510006, China.
Yang LM; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education; Center for Computational Quantum Chemistry, School of Chemistry, South China Normal University, Guangzhou 510006, China.

ACS Appl Mater Interfaces ; 14(22): 25317-25325, 2022 Jun 08.

Article in En | MEDLINE | ID: mdl-35608362

Key words

2D TM-sF4TCNQ monolayers; electrocatalytic nitrogen fixation; first-principles calculations; high-throughput screening; single-atom catalysts

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: ACS Appl Mater Interfaces Journal subject: BIOTECNOLOGIA / ENGENHARIA BIOMEDICA Year: 2022 Document type: Article Country of publication: Estados Unidos

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