The electronic, optical, and thermodynamic properties of borophene from first-principles calculations
TLDR
In this article, the electronic structure and bonding characteristics of borophene were investigated by first-principles calculations, and the obtained optical properties exhibited strong anisotropy as well.Abstract:
Borophene (a two-dimensional boron sheet) is a new type of two-dimensional material, which was recently grown successfully on single crystal Ag substrates. In this paper, we investigate the electronic structure and bonding characteristics of borophene by first-principles calculations. The band structure of borophene shows highly anisotropic metallic behaviour. The obtained optical properties of borophene exhibit strong anisotropy as well. Finally, the thermodynamic properties are investigated based on the phonon properties.read more
Citations
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Strain effects on borophene: ideal strength, negative Possion’s ratio and phonon instability
TL;DR: In this paper, the authors performed first-principle calculations to investigate the mechanical properties of the monolayer borophene, including ideal tensile strength and critical strain.
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The Rise of 2D Photothermal Materials beyond Graphene for Clean Water Production
Zhongjian Xie,Yanhong Duo,Zhitao Lin,Taojian Fan,Chenyang Xing,Li Yu,Renheng Wang,Meng Qiu,Yupeng Zhang,Yonghua Zhao,Xiaobing Yan,Han Zhang +11 more
TL;DR: The role of 2D photothermal nanomaterials in solving water challenges is highlighted and a viable scheme toward the practical use in photothermal materials selection, design, and evaporation systems building is provided.
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Stability and strength of atomically thin borophene from first principles calculations
Bo Peng,Hao Zhang,Hezhu Shao,Zeyu Ning,Yuanfeng Xu,Gang Ni,Hong-Liang Lu,David Wei Zhang,Heyuan Zhu +8 more
TL;DR: In this article, the authors examined the dynamical, thermodynamic and mechanical stability of, and striped borophene, and showed a deep connection between stability and strength, and helped researchers to estimate accurately the mechanical performance of 2D materials.
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The Ideal Tensile Strength and Phonon Instability of Borophene
TL;DR: In this article, the authors performed first-principle calculations to investigate the mechanical properties of the monolayer borophene, including ideal tensile strength and critical strain.
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Mechanical responses of borophene sheets: a first-principles study.
TL;DR: Based on the results of the modelling, borophene films depending on the atomic configurations and the loading direction can yield a remarkable elastic modulus in the range of 163-382 GPa nm and a high ultimate tensile strength.
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