@article{ART002845900},
author={Yuan Kun and Zhao Yaoxiao and Li Mengyang and Liu Yanzhi},
title={Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices},
journal={Carbon Letters},
issn={1976-4251},
year={2021},
volume={31},
number={6},
pages={1227-1235},
doi={10.1007/s42823-021-00246-1}
TY - JOUR
AU - Yuan Kun
AU - Zhao Yaoxiao
AU - Li Mengyang
AU - Liu Yanzhi
TI - Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices
JO - Carbon Letters
PY - 2021
VL - 31
IS - 6
PB - Korean Carbon Society
SP - 1227
EP - 1235
SN - 1976-4251
AB - The intrinsic negative Poisson’s ratio efect at the level of molecule in two-dimensional nanomaterials, especially in the perfect planar nanostructures with a single atom thickness, is really rare and has attracted a lot of research interests because of its unique mechanical properties in the nanoscale and extensive applications in mechanical nanodevices. In this work, a novel ideal planar carbon nanostructure (PCNS) framework with a single atom thickness composed by carbon and hydrogen atoms is proposed and studied by means of frst-principles density functional calculation. The results showed that the PCNS is, simultaneously, of excellent thermodynamic, molecular dynamic and mechanical stabilities. In addition, the electronic structure, mechanical characters, and optical-electronic characteristics of PCNS are also explored. Excitedly, it is found that the PCNS has a signifcant negative Poisson’s ratio efect in plane, and the maximum value of Poisson’s ratio is as high as − 2.094. Meanwhile, the material has a wide range of elastic mechanics. Moreover, the PCNS presents an ideal UV absorption performance. It is hoped that this work could be a useful structural design strategy for the development of the ideal 2D carbon-based nanomechanical devices with the intrinsic negative Poisson’s ratio efect and other electronic functions.
KW - Two-Dimensional carbon nanostructure · Negative Poisson’s ratio efect · Mechanical properties · Firstprinciples calculation
DO - 10.1007/s42823-021-00246-1
ER -
Yuan Kun, Zhao Yaoxiao, Li Mengyang and Liu Yanzhi. (2021). Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices. Carbon Letters, 31(6), 1227-1235.
Yuan Kun, Zhao Yaoxiao, Li Mengyang and Liu Yanzhi. 2021, "Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices", Carbon Letters, vol.31, no.6 pp.1227-1235. Available from: doi:10.1007/s42823-021-00246-1
Yuan Kun, Zhao Yaoxiao, Li Mengyang, Liu Yanzhi "Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices" Carbon Letters 31.6 pp.1227-1235 (2021) : 1227.
Yuan Kun, Zhao Yaoxiao, Li Mengyang, Liu Yanzhi. Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices. 2021; 31(6), 1227-1235. Available from: doi:10.1007/s42823-021-00246-1
Yuan Kun, Zhao Yaoxiao, Li Mengyang and Liu Yanzhi. "Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices" Carbon Letters 31, no.6 (2021) : 1227-1235.doi: 10.1007/s42823-021-00246-1
Yuan Kun; Zhao Yaoxiao; Li Mengyang; Liu Yanzhi. Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices. Carbon Letters, 31(6), 1227-1235. doi: 10.1007/s42823-021-00246-1
Yuan Kun; Zhao Yaoxiao; Li Mengyang; Liu Yanzhi. Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices. Carbon Letters. 2021; 31(6) 1227-1235. doi: 10.1007/s42823-021-00246-1
Yuan Kun, Zhao Yaoxiao, Li Mengyang, Liu Yanzhi. Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices. 2021; 31(6), 1227-1235. Available from: doi:10.1007/s42823-021-00246-1
Yuan Kun, Zhao Yaoxiao, Li Mengyang and Liu Yanzhi. "Predicting an ideal 2D carbon nanostructure with negative Poisson's ratio from first principles: implications for nanomechanical devices" Carbon Letters 31, no.6 (2021) : 1227-1235.doi: 10.1007/s42823-021-00246-1
