title: Prediction of two planar carbon allotropes with large meshes.
abstract: Two novel two-dimensional (2D) carbon allotropes named C(y) and C(z) with large meshes are predicted based on first-principles calculations. Their formation energies are lower than that of graphdiyne, which was recently synthesized in an experiment. Molecular dynamics simulations indicate that C(y) and C(z) are stable even when the temperature is over 1000 K. The calculated Poisson's ratios of C(y) and C(z) show their anisotropic mechanical properties. The electronic structure calculations indicate that C(y) is a metal, while C(z) behaves as a semiconductor. Moreover, C(z) shows conductive anisotropy suggesting its potential in nanoelectronic devices. Meanwhile, their well-defined mesh structures are suitable for molecular sieves.
authors.affiliation: School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, China. kwzhang@xtu.edu.cn.
authors.forename: ShuangYing
authors.initials: S
authors.lastname: Ma
authors.affiliation: Hunan Provincial Key Laboratory of Thin Film Materials and Devices, School of Material Sciences and Engineering, Xiangtan University, Xiangtan 411105, China. lzsun@xtu.edu.cn.
authors.forename: L Z
authors.initials: LZ
authors.lastname: Sun
authors.affiliation: School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, China. kwzhang@xtu.edu.cn.
authors.forename: K W
authors.initials: KW
authors.lastname: Zhang