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Optical and Quantum Electronics

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01-09-2018

Alkali-metal-embedded in monolayer MoS₂: optical properties and work functions

Authors: Zhen Cui, Xia Wang, Yingchun Ding, Chao Zhang, Meiqin Li

Published in: Optical and Quantum Electronics | Issue 9/2018

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Abstract

Embedding alkali-metal in monolayer MoS₂ has been investigated by using first principles with density functional theory. The calculation of the electronic and optical properties indicates that alkali-metal was embedded in monolayer MoS₂ appearing almost metallic behavior, and the MoS₂ layer shows clear p-type doping behavior. The covalent bonding appears between the alkali-metal atoms and defective MoS₂. More importantly, embedding alkali-metal can increase the work function for monolayer MoS₂. Furthermore, the absorption spectrum of monolayer MoS₂ is red shifted because of alkali metal embedding. Accordingly, this study will provide the theoretical basis for producing the alkali-metal-doped monolayer MoS₂ radiation shielding and photoelectric devices.

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Title: Alkali-metal-embedded in monolayer MoS2: optical properties and work functions
Authors: Zhen Cui
Xia Wang
Yingchun Ding
Chao Zhang
Meiqin Li
Publication date: 01-09-2018
Publisher: Springer US
Published in: Optical and Quantum Electronics / Issue 9/2018
Print ISSN: 0306-8919
Electronic ISSN: 1572-817X
DOI: https://doi.org/10.1007/s11082-018-1612-z

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