Ab Initio Calculations of Ideal Strength and Electronic Property of Hydrogenated-Biphenylene Monolayer

Vuong Van Thanh, Do Van Truong, Nguyen Tuan Hung

研究成果: 書籍の章/レポート/Proceedings会議への寄与査読

抄録

In this study, we examine the mechanical and electronic properties of the hydrogenated-biphenylene (HB) monolayer using Ab initio calculations. We find that the HB monolayer has anisotropic mechanical properties. The Young’s modulus of the HB monolayer is 222.73 (N/m) and 155 (N/m) along the x and y directions, respectively. The ideal strength of the HB monolayer along the x direction (21.23 N/m) is higher than that along the y direction (13.79 N/m). Moreover, our obtained results demonstrate that the HB monolayer is an indirect bandgap semiconductor at the equilibrium state, with a bandgap of 3.45 eV. We find that an indirect to direct bandgap semiconductor transition occurs at the strain of 12% along the x direction. The results presented in this study elucidate the intrinsic properties of HB monolayer under the tensile strain, which are useful for making devices based on HB monolayer.

本文言語英語
ホスト出版物のタイトルProceedings of the 3rd Annual International Conference on Material, Machines and Methods for Sustainable Development (MMMS2022) - Volume 2
ホスト出版物のサブタイトルMaterials Applications, Machining, and Renewable Energy
編集者Banh Tien Long, Kozo Ishizaki, Hyung Sun Kim, Yun-Hae Kim, Nguyen Duc Toan, Nguyen Thi Hong Minh, Pham Duc An
出版社Springer Science and Business Media Deutschland GmbH
ページ415-421
ページ数7
ISBN(印刷版)9783031390890
DOI
出版ステータス出版済み - 2024
イベント3rd International Annual Conference on Material, Machines and Methods for Sustainable Development, MMMS 2022 - Can Tho, ベトナム
継続期間: 2022 11月 102022 11月 13

出版物シリーズ

名前Lecture Notes in Mechanical Engineering
ISSN(印刷版)2195-4356
ISSN(電子版)2195-4364

会議

会議3rd International Annual Conference on Material, Machines and Methods for Sustainable Development, MMMS 2022
国/地域ベトナム
CityCan Tho
Period22/11/1022/11/13

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