@inproceedings{a28beea7085f47bd821e50da14faaad2,
title = "Influence of Single and Double-Atom Metal Doping on the Electrocatalytic Hydrogen Evolution Activity of 2D-MoS2Surface",
abstract = "The Hydrogen evolution reaction (HER) is an important process during electrocatalytic water splitting for hydrogen energy generation. Two dimensional MoS2 has been considered as a promising alternative to Pt-based catalysts in the hydrogen evolution reaction. However, the highest contribution for the catalytic activity of 2D-MoS2 is from its edge sites, this in turn leaves many in-plane domains useless. In this study, the effect of single and double atom metal (Pt, Ni and Pt-Ni) doping on HER catalytic activity of in-plane atoms was investigated using density functional theory calculations. The Gibbs free energy of adsorbed hydrogen on pristine MoS2 decreased from 1.86eV to -0.08eV in PtNi co-doped MoS2. This demonstrates enhanced catalytic activity of MoS2 due to atomic doping. The enhanced catalytic activity may also be attributed to the observed changes in structural and electronic properties.",
keywords = "atomic doping, density functional theory, hydrogen evolution reaction, molydenum disulphide, nickel, platinum styling",
author = "Mohlala, {Lesego M.} and Oviroh, {Peter O.} and Jen, {Tien Chien} and Olubambi, {Peter A.}",
note = "Publisher Copyright: {\textcopyright} 2020 IEEE.; 3rd International Conference on Power and Energy Applications, ICPEA 2020 ; Conference date: 09-10-2020 Through 11-10-2020",
year = "2020",
month = oct,
day = "9",
doi = "10.1109/ICPEA49807.2020.9280131",
language = "English",
series = "2020 3rd International Conference on Power and Energy Applications, ICPEA 2020",
publisher = "Institute of Electrical and Electronics Engineers Inc.",
pages = "29--32",
booktitle = "2020 3rd International Conference on Power and Energy Applications, ICPEA 2020",
address = "United States",
}
