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Improving the catalytic activity for hydrogen evolution of monolayered SnSe2(1−x)S2x by mechanical strain
- Source :
- Beilstein Journal of Nanotechnology, Beilstein Journal of Nanotechnology, Vol 9, Iss 1, Pp 1820-1827 (2018)
- Publication Year :
- 2018
- Publisher :
- Beilstein Institut, 2018.
-
Abstract
- Exploring efficient electrocatalysts for hydrogen production with non-noble metals and earth-abundant elements is a promising pathway for achieving practical electrochemical water splitting. In this work, the electronic properties and catalytic activity of monolayer SnSe2(1−x)S2x (x = 0–1) under compressive and tensile strain were investigated using density functional theory (DFT) computations. The results showed SnSe2(1−x)S2x alloys with continuously changing bandgaps from 0.8 eV for SnSe2 to 1.59 eV for SnS2. The band structure of a SnSe2(1−x)S2x monolayer can be further tuned by applied compressive and tensile strain. Moreover, tensile strain provides a direct approach to improve the catalytic activity for the hydrogen evolution reaction (HER) on the basal plane of the SnSe2(1−x)S2x monolayer. SnSeS and SnSe0.5S1.5 monolayers showed the best catalytic activity for HER at a tensile strain of 10%. This work provides a design for improved catalytic activity of the SnSe2(1-x)S2x monolayer.
- Subjects :
- Materials science
General Physics and Astronomy
02 engineering and technology
lcsh:Chemical technology
010402 general chemistry
Electrochemistry
lcsh:Technology
01 natural sciences
Full Research Paper
Catalysis
density functional theory (DFT)
Monolayer
Nanotechnology
lcsh:TP1-1185
General Materials Science
Electrical and Electronic Engineering
lcsh:Science
Electronic band structure
Hydrogen production
Strain (chemistry)
lcsh:T
mechanical strain
021001 nanoscience & nanotechnology
lcsh:QC1-999
hydrogen evolution reaction
0104 chemical sciences
Nanoscience
SnSe2(1−x)S2x monolayer
Chemical engineering
electronic properties
Water splitting
lcsh:Q
Density functional theory
0210 nano-technology
lcsh:Physics
Subjects
Details
- ISSN :
- 21904286
- Volume :
- 9
- Database :
- OpenAIRE
- Journal :
- Beilstein Journal of Nanotechnology
- Accession number :
- edsair.doi.dedup.....73814a8a06a678475160793e382be3ca