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Two-dimensional Janus material MoS2(1-x)Se2x (0 < x < 1) for photovoltaic applications: A machine learning and density functional study
- Source :
- Computational Materials Science. 186:109998
- Publication Year :
- 2021
- Publisher :
- Elsevier BV, 2021.
-
Abstract
- Janus transition-metal dichalcogenides MoSSe has been attracted much attention due to its excellent electronic properties induced by mirror symmetry breaking. In this work, based on machine learning and density functional theory, the photoelectric conversion coefficient (PCE) along with the variation of Se concentration in MoS2(1-x)Se2x (0
- Subjects :
- Work (thermodynamics)
General Computer Science
General Physics and Astronomy
02 engineering and technology
010402 general chemistry
Machine learning
computer.software_genre
01 natural sciences
General Materials Science
Janus
Photoelectric conversion
Electronic properties
Physics
business.industry
Photovoltaic system
General Chemistry
021001 nanoscience & nanotechnology
0104 chemical sciences
Computational Mathematics
Mechanics of Materials
Density functional theory
Artificial intelligence
0210 nano-technology
business
Mirror symmetry
computer
Subjects
Details
- ISSN :
- 09270256
- Volume :
- 186
- Database :
- OpenAIRE
- Journal :
- Computational Materials Science
- Accession number :
- edsair.doi...........1ecbb9b94f7a4bcc6f466707d01e9035
- Full Text :
- https://doi.org/10.1016/j.commatsci.2020.109998