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Modulating the Band Structure of Metal Coordinated Salen COFs and an In Situ Constructed Charge Transfer Heterostructure for Electrocatalysis Hydrogen Evolution.
Zhang, Boying; Chen, Liling; Zhang, Zhenni; Li, Qing; Khangale, Phathutshedzo; Hildebrandt, Diane; Liu, Xinying; Feng, Qingliang; Qiao, Shanlin.
Afiliação
  • Zhang B; College of Chemistry and Pharmaceutical Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, P. R. China.
  • Chen L; Department of Chemical Engineering, Faculty of Engineering and the Built Environment, University of Johannesburg, Doornfontein, 2028, South Africa.
  • Zhang Z; College of Chemistry and Pharmaceutical Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, P. R. China.
  • Li Q; Key Laboratory of Special Functional and Smart Polymer Materials of Ministry of Industry and Information Technology School of Chemistry and Chemical Engineering, Northwestern Polytechnical University, Xi'an, 710072, P. R. China.
  • Khangale P; College of Chemistry and Pharmaceutical Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, P. R. China.
  • Hildebrandt D; College of Chemistry and Pharmaceutical Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, P. R. China.
  • Liu X; Department of Chemical Engineering, Faculty of Engineering and the Built Environment, University of Johannesburg, Doornfontein, 2028, South Africa.
  • Feng Q; African Energy Leadership Centre, WITS Business School and Molecular Science Institute, School of Chemistry, University of Witwatersrand, Johannesburg, 2050, South Africa.
  • Qiao S; Institute for Development of Energy for African Sustainability, University of South Africa, Florida, 1709, South Africa.
Adv Sci (Weinh) ; 9(22): e2105912, 2022 Aug.
Article em En | MEDLINE | ID: mdl-35657033
ABSTRACT
A series of crystalline, stable Metal (Metal = Zn, Cu, Ni, Co, Fe, and Mn)-Salen covalent organic framework (COF)EDA complex are prepared to continuously tune the band structure of Metal-Salen COFEDA , with the purpose of optimizing the free energy intermediate species during the hydrogen evolution reaction (HER) process. The conductive macromolecular poly(3,4-ethylenedioxythiophene) (PEDOT) is subsequently integrated into the one-dimensional (1D) channel arrays of Metal-Salen COFEDA to form heterostructure PEDOT@Metal-Salen COFEDA via the in situ solid-state polymerization method. Among the Metal-Salen COFEDA and PEDOT@Metal-Salen COFEDA complexes, the optimized PEDOT@Mn-Salen COFEDA displays prominent electrochemical activity with an overpotential of 150 mV and a Tafel slope of 43 mV dec-1 . The experimental results and density of states data show that the continuous energy band structure modulation in Metal-Salen COFEDA has the ability to make the metal d-orbital interact better with the s-orbital of H, which is conducive to electron transport in the HER process. Moreover, the calculated charge density difference indicates that the heterostructures composed of PEDOT and Metal-Salen COFEDA induce an intramolecular charge transfer and construct highly active interfacial sites.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article