4.8 Article

Material design with the concept of solid solution-type defect engineering in realizing the conversion of an electrocatalyst of NiS2 into a photocatalyst for hydrogen evolution

期刊

APPLIED CATALYSIS B-ENVIRONMENTAL
卷 298, 期 -, 页码 -

出版社

ELSEVIER
DOI: 10.1016/j.apcatb.2021.120542

关键词

Bimetal oxysulfide; Water splitting; Oxygen vacancies; Visible light; (Ni; In)(O; S)(2-x)

资金

  1. National Natural Science Foundation of China [31000269]
  2. China Postdoctoral Science Foundation [2018M632562]
  3. Strait Postdoctoral Science Foundation [1323H0005]
  4. Innovation Foundation of Fujian Agriculture and Forestry University [CXZX2020129B]

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By converting a lower-bandgap and electrocatalyst-type NiS2 phase into a higher-bandgap and photocatalyst-type NiInOS phase, excellent photocatalytic hydrogen evolution reaction (PHER) is achieved. The incorporation of indium and oxygen into NiS2 structure to form (Ni,In)(O,S)2-x leads to the enhancement of PHER, with the best performance exhibited by samples containing 16.8% oxygen vacancy. The DFT calculation suggests that surface oxygen vacancies of (Ni,In)(O,S)2-x have strong interaction with H2O, resulting in a high water adsorption energy.
The conversion of a lower-bandgap and electrocatalyst-type NiS2 phase into a higher-bandgap and photocatalysttype one with excellent photocatalytic hydrogen evolution reaction (PHER) is demonstrated. In- and O-added NiS2 (NiInOS) extended its bandgap for harvesting visible light and showed as a distorted pyrite structure with a molecular formula of (Ni0.872In0.128)[(O0.2S0.8)1.5()0.5]. (Ni,In)(O,S)2-x with active oxygen vacancy and a partial Ni3+-to-Ni2+ conversion achieves excellent PHER. The best (Ni,In)(O,S)2-x with an oxygen vacancy content of 16.8 % could produce 496.8 mu mol/h H2 under visible light, while it was 7.63 mu mol/h H2 at a content of 2.12 %. The DFT calculation predicts that surface oxygen vacancies of (Ni,In)(O,S)2-x have a strong interaction with H2O to reach a high water adsorption energy of -0.896 eV. Here, the conversion of NiS2 into photocatalyst indicates that defect engineering by forming solid solution with incorporation of indium and oxygen to have bimetal and bichalcogen (Ni,In)(O,S)2-x is a promising approach for novel materials design to extend material application.

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