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Defective Biphenylene as High-Efficiency Hydrogen Evolution Catalysts.
Luo, Yi; He, Yiqiang; Ding, Yunfei; Zuo, Lijie; Zhong, Chengyong; Ma, Yinchang; Sun, Minglei.
Afiliación
  • Luo Y; School of Mechanical Engineering, Jiangsu Ocean University, Lianyungang 222005, China.
  • He Y; Jiangsu Key Laboratory of Function Control Technology for Advanced Materials, Jiangsu Ocean University, Lianyungang 222005, China.
  • Ding Y; School of Mechanical Engineering, Jiangsu Ocean University, Lianyungang 222005, China.
  • Zuo L; School of Mechanical Engineering, Jiangsu Ocean University, Lianyungang 222005, China.
  • Zhong C; School of Mechanical Engineering, Jiangsu Ocean University, Lianyungang 222005, China.
  • Ma Y; College of Physics and Electronic Engineering, Chongqing Normal University, Chongqing 401331, China.
  • Sun M; Physical Sciences and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.
Inorg Chem ; 63(2): 1136-1141, 2024 Jan 15.
Article en En | MEDLINE | ID: mdl-38160412
ABSTRACT
Electrocatalysts play a pivotal role in advancing the application of water splitting for hydrogen production. This research unveils the potential of defective biphenylenes as high-efficiency catalysts for the hydrogen evolution reaction. Using first-principles simulations, we systematically investigated the structure, stability, and catalytic performance of defective biphenylenes. Our findings unveil that defect engineering significantly enhances the electrocatalytic activity for hydrogen evolution. Specifically, biphenylene with a double-vacancy defect exhibits an outstanding Gibbs free energy of -0.08 eV, surpassing that of Pt, accompanied by a remarkable exchange current density of -3.08 A cm-2, also surpassing that of Pt. Furthermore, we find the preference for the Volmer-Heyrovsky mechanism in the hydrogen evolution reaction, with a low energy barrier of 0.80 eV. This research provides a promising avenue for developing novel metal-free electrocatalysts for water splitting with earth-abundant carbon elements, making a significant step toward sustainable hydrogen production.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Inorg Chem Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Inorg Chem Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos