Journal
NANOTECHNOLOGY
Volume 32, Issue 47, Pages -Publisher
IOP Publishing Ltd
DOI: 10.1088/1361-6528/ac1d07
Keywords
two-dimensional materials; density-functional theory; carrier mobility; direct band-gap
Funding
- National Natural Science Foundation of China [12047517]
- Natural Science Foundation of Henan [202300410069]
- China Postdoctoral Science Foundation [2020M682274, 2020TQ0089]
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The B2S3 monolayer, predicted through ab initio calculations and global particle-swarm optimization method, is a new semiconductor with high electron mobility and a direct band-gap that can be manipulated under biaxial strain. It can efficiently absorb sunlight in the visible light spectrum and holds good dynamical, thermal, and mechanical stabilities, making it a promising candidate for future applications in high-speed (opto)electronic devices.
Atomically two-dimensional materials with direct band-gap and high carrier mobility are highly desirable due to their promising applications in electronic devices. Here, on the basis of ab initio calculations and global particle-swarm optimization method, we predict the B2S3 monolayer as a new semiconductor with favorable functional properties. The B2S3 monolayer possesses a high electron mobility of 553 cm(2) V-1 s(-1) and a direct band-gap of 1.85 eV. The direct band-gap can be manipulated under biaxial strain. Furthermore, B2S3 monolayer can absorb sunlight efficiently in the entire range of the visible light spectrum. Besides, this monolayer holds good dynamical, thermal, and mechanical stabilities. All the desired properties render B2S3 monolayer a promising candidate for future applications in high-speed (opto)electronic devices.
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