The compositional dependence of structural stability and resulting properties for Mn+1CnT2 (M = Sc, Ti, V; T = O, OH, F, Cl, Br and I; n = 1, 2): first-principle investigations

The compositional dependence of structural stability and resulting properties for Mn+1CnT2 (M = Sc, Ti, V; T = O, OH, F, Cl, Br and I; n = 1, 2): first-principle investigations

As a new type of two-dimensional layered carbides, nitrides or carbonitrides, MXenes have attracted widespread attention due to their excellent physical/chemical properties and huge potential functions. This work theoretically investigates the compositional dependence of Mn+1XnT2 and their electroni...

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Bibliographic Details
Main Authors: Yuchen Jiang, Yiming Zhang, Qing Huang, Lvyuan Hao, Shiyu Du
Format: Article
Language:English
Published: Elsevier 2020-11-01
Series:Journal of Materials Research and Technology
Subjects:
MXenes
First-principle investigations
Terminations
Structural stability
Electronic properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785420319426

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http://www.sciencedirect.com/science/article/pii/S2238785420319426

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