Published in
Royal Society of Chemistry, Catalysis Science & Technology, 3(7), p. 687-692, 2017
DOI: 10.1039/c6cy02426b
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A comparative study of hydrogen evolution reaction on pseudo-monolayer WS2and PtS2: insights based on the density functional theory
Journal article published in 2017 by
Showkat H. Mir,
Sudip Chakraborty 
,
John Wärnå,
Som Narayan,
Prakash C. Jha ,
Prafulla K. Jha,
Rajeev Ahuja
,
John Wärnå,
Som Narayan,
Prakash C. Jha ,
Prafulla K. Jha,
Rajeev Ahuja
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Abstract
In this study, we investigated the catalytic activity of ultrathin PtS2 and WS2 nanostructures for the hydrogen evolution reaction by electronic structure calculations based on the spin-polarised density functional theory.