Variable thermal transport in black, blue, and violet phosphorene from extensive atomistic simulations with a neuroevolution potential

Phosphorus has diverse chemical bonds, and even in its two-dimensional form, there are three stable allotropes: black phosphorene (Black-P), blue phosphorene (Blue-P), and violet phosphorene (Violet-P). Due to the complexity of these structures, no efficient and accurate classical interatomic potent...

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Bibliographic Details

Main Authors:	Penghua Ying, Ting Liang, Ke Xu, Jianbin Xu, Zheyong Fan, Tapio Ala-Nissila, Zheng Zhong
Format:	Default Article
Published:	2022
Subjects:	Engineering Mathematical sciences Physical sciences Phosphorene Neuroevolution potential Homogeneous nonequilibrium molecular dynamics Thermal conductivity Phonon transport
Online Access:	https://hdl.handle.net/2134/21732158.v1
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