Lithium enhancing electronic transport properties of monolayer 6,6,12-graphyne from first principles
نویسندگان
چکیده
منابع مشابه
Mechanical properties of graphyne monolayers: a first-principles study.
We investigated the mechanical properties of graphyne monolayers using first-principles calculations based on the Density Functional Theory. Graphyne has a relatively low in-plane Young's modulus (162 N m(-1)) and a large Poisson ratio (0.429) compared to graphene. It can sustain large nonlinear elastic deformations up to an ultimate strain of 0.2 followed by strain softening until failure. The...
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ژورنال
عنوان ژورنال: Surfaces and Interfaces
سال: 2021
ISSN: 2468-0230
DOI: 10.1016/j.surfin.2020.100903