Study of Energetics of Polaron Dynamics in Monolayer and Bulk MoS2 Using Oxidation-State Constrained Density Functional Theory

Calvin Ku, Patrick H.-L Sit

https://doi.org/10.1021/acs.jpcc.2c03201

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Journal: The Journal of Physical Chemistry C	Publication Date: Jun 28, 2022
Citations: 4

Abstract

Study of Energetics of Polaron Dynamics in Monolayer and Bulk MoS<sub>2</sub> Using Oxidation-State Constrained Density Functional Theory

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