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Two-dimensional silicon chalcogenides with high carrier mobility for photocatalytic water splitting
- Source :
- Journal of Materials Science. 54:11485-11496
- Publication Year :
- 2019
- Publisher :
- Springer Science and Business Media LLC, 2019.
-
Abstract
- Highly-efficient water splitting based on solar energy is one of the most attractive research focuses in the energy field. Searching for more candidate photocatalysts that can work under visible-light irradiation are highly demanded. Herein, using first principle calculations based on density functional theory, we predict that the two dimensional silicon chalcogenides, i.e. SiX (X=S, Se, Te) monolayers, as semiconductors with 2.43 eV~3.00 eV band gaps, exhibit favorable band edge positions for photocatalytic water splitting. The optical adsorption spectra demonstrate that the SiX monolayers have pronounced optical absorption in the visible light region. Moreover, the band gaps and band edge positions of silicon chalcogenides monolayers can be tuned by applying biaxial strain or increasing the number of layers, in order to better fit the redox potentials of water. The combined novel electronic, high carrier mobility, and optical properties render the two dimensional SiX a promising photocatalyst for water splitting.<br />5 figures, 2 tables
- Subjects :
- Condensed Matter - Materials Science
Electron mobility
Materials science
Silicon
business.industry
Band gap
020502 materials
Mechanical Engineering
Materials Science (cond-mat.mtrl-sci)
FOS: Physical sciences
chemistry.chemical_element
02 engineering and technology
Semiconductor
0205 materials engineering
chemistry
Mechanics of Materials
Water splitting
Optoelectronics
General Materials Science
Density functional theory
business
Absorption (electromagnetic radiation)
Photocatalytic water splitting
Subjects
Details
- ISSN :
- 15734803 and 00222461
- Volume :
- 54
- Database :
- OpenAIRE
- Journal :
- Journal of Materials Science
- Accession number :
- edsair.doi.dedup.....119b60bf27c14ed92166790aeb75f18a