State Key Laboratory of Superhard Materials, Key Laboratory of Automobile Materials of MOE, Innovation Center for Computational Physics Method and Software, Jilin University, Changchun 130012, China.
Phys Chem Chem Phys. 2019 Nov 27;21(46):25859-25864. doi: 10.1039/c9cp04826j.
Because of the particular characteristics of layered materials, searching for new two-dimensional (2D) structures has become the foundation of future device manufacture. Using first-principles calculations and theoretical analysis, we identified a new monolayer B2O and systematically investigated its fundamental mechanical and electronic properties, especially under strain. Due to the complicated puckered hinge structure of monolayer B2O, it possesses an intrinsic negative Poisson's ratio of -0.021. Moreover, we found that the superconducting state of monolayer B2O can be improved, where strain plays an effective role in regulating the properties of the 2D material. The current results elucidate the structure and corresponding properties of monolayer B2O, which may stimulate related fundamental research and potential nanoscale applications.
由于层状材料的特殊性质,寻找新的二维(2D)结构已成为未来器件制造的基础。本研究使用第一性原理计算和理论分析,确定了一种新的单层 B2O,并系统地研究了其基本的力学和电子特性,尤其是在应变条件下的性质。由于单层 B2O 的复杂褶皱铰链结构,它具有内在的负泊松比,为-0.021。此外,我们发现单层 B2O 的超导状态可以得到改善,应变在调节二维材料性能方面起着有效的作用。本研究结果阐明了单层 B2O 的结构和相应性质,可能会激发相关的基础研究和潜在的纳米级应用。