First principles study of the 2D Mo(S1-XTeX)2 TMD alloy adsorbed on an Al-terminated sapphire (0001)-substrate

First principles study of the 2D Mo(S1-XTeX)2 TMD alloy adsorbed on an Al-terminated sapphire (0001)-substrate

A first principles study, was performed for a 2D, three atom thick monolayer of the Transition Metal Dichalcogenide (TMD) alloy Mo(S _1-X Te _X ) _2 adsorbed on an Al-terminated (0001)-sapphire surface. Bulk composition dependent binding energies and band-gaps, and a partial phase diagram, were calc...

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Bibliographic Details
Main Author: B P Burton
Format: Article
Language:English
Published: IOP Publishing 2021-01-01
Series:Materials Research Express
Subjects:
2D materials
2D TMD Alloy
first principles
phase diagram
band gaps
binding energy
Online Access:https://doi.org/10.1088/2053-1591/ac303e

Internet

https://doi.org/10.1088/2053-1591/ac303e

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