Journal
JOURNAL OF CATALYSIS
Volume 383, Issue -, Pages 103-116Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcat.2020.01.015
Keywords
M-Co9S8; Metal-organic framework; Water splitting; Electrocatalytic; Density functional theory
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Funding
- National Science Foundation of China [21802126]
- Science Foundation of Shanxi Province [201801D221083]
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Doping metal ions into sulfide is a promising strategy to improve water splitting activity. Here, first-principles theoretical calculations according to density functional theory (DFT) combined with experimental research is researched to develop different transition metals ions (M = Fe, Ni, Zn and Mo) doped into Co9S8(M-Co9S8) for enhancing overall water splitting activity. The DFT calculation results predict that Ni-Co9S8/NF displays improved electrochemical activity for water splitting. The different transition metal ions (M = Fe, Ni, Zn and Mo) doped into Co9S8 (M-Co9S8) are prepared for the first time by simple hydrothermal and sulfuration process. Only 1.45 V of cell voltages of Ni-Co9S8/NF is required to drive 10 mA cm(-2) , which is one of the smallest cell voltages reported. These experimental results are highly consistent with the DFT calculations predictions. This work offers a significative methodology and theoretical evaluation to develop a highly efficient electrocatalyst for practical water splitting applications. (C) 2020 Elsevier Inc. All rights reserved.
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