A computational study of MoS2 for band gap engineering by substitutional doping of TMN (T = transition metal (Cu), M = metalloid (B) and N = non-metal (C))

A computational study of MoS2 for band gap engineering by substitutional doping of TMN (T = transition metal (Cu), M = metalloid (B) and N = non-metal (C))

Tunable electronic properties of two dimensional Molybdenum disulfide (MoS _2 ) make it a potential material. In this study, we inspect electronic and structural properties of TMN-doped MoS _2 (T = Transition metal (Cu-copper), M = Metalloid (B-boron) and N = Nonmetal (C-carbon)) by using first prin...

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Bibliographic Details
Main Authors: Muhammad Tayyab, Akhtar Hussain, Qurat ul Ain Asif, Waqar Adil, Shafqat Nabi, Nouman Rafiq, Basharat Ahmed
Format: Article
Language:English
Published: IOP Publishing 2021-01-01
Series:Materials Research Express
Subjects:
density functional theory
substitutional doping
electronic properties
bandgap tuning
density of states
monolayer MoS2
Online Access:https://doi.org/10.1088/2053-1591/abf3e1

Internet

https://doi.org/10.1088/2053-1591/abf3e1

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