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First-principles study on structural, electronic and elastic properties of graphene-like hexagonal Ti2C monolayer

Computational Materials Science(2014)

引用 102|浏览2
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摘要
•The second-order elastic constant c11 and c12 of 2D Ti2C are 137 N/m and 32 N/m.•The in-plane Young’s modulus and Poisson’s ratio of 2D Ti2C are 130 N/m and 0.23.•2D Ti2C is less stiffer than graphene and 2D h-BN.•Elastic properties of 2D Ti2C are comparable to 2D MoS2.•2D Ti2C shows a higher N(EF) due to the redistribution of Ti 3d electrons.
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关键词
First-principles,Elastic properties,Two-dimensional material,Ti2C
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