文献类型：期刊文献

英文题名：Mechanical and electronic properties of 2D black phosphorene nanoribbons: A first-principles study

作者：Miao, Yufei[1]; He, Luwu[1]

机构：[1] School of Mechanical and Power Engineering, East China University of Science and Technology, Shanghai, China

年份：2021

卷号：702

期号：1

外文期刊名：IOP Conference Series: Earth and Environmental Science

收录：EI(收录号：20211410167935)

语种：英文

外文关键词：Energy gap - Calculations - Stress-strain curves - Nanoribbons - Elastic moduli

摘要：The mechanical and electronic properties of black phosphorene nanoribbons are studied using the first-principles calculations. The armchair black phosphorene nanoribbons (APNR) are obtained and the atomic reconstruction is found at the edge of the nanoribbons. In addition, the strain field is applied on the nanoribbons, and its stress-strain curve, Young's modulus, and Poisson's ratio are calculating by stretching APNR. It is found that the Young's modulus enhanced with the increase of nanoribbons width. It is significantly lower than the Young's modulus of monolayer black phosphorene. On the contrary, the Poisson's ratio hardly changes with the increase of nanoribbons width. Finally, it is found that the band gap of APNR decreases with the increase of nanoribbons width and increases monotonically with the increase of strain. ? 2021 Published under licence by IOP Publishing Ltd.