In recent years, structure design and predictions based on global optimization approach as implemented in CALYPSO software have gained great success in accelerating the discovery of novel two-dimensional（2D） materials. Here we highlight some most recent research progress on the prediction of novel 2D structures, involving elements, metal-free and metal-containing compounds using CALYPSO package. Particular emphasis will be given to those 2D materials that exhibit unique electronic and magnetic properties with great potentials for applications in novel electronics, optoelectronics,magnetronics, spintronics, and photovoltaics. Finally, we also comment on the challenges and perspectives for future discovery of multi-functional 2D materials.
类型: 期刊论文
作者: 唐程,Gurpreet Kour,杜爱军
来源: Chinese Physics B 2019年10期
年度: 2019
分类: 基础科学,工程科技Ⅰ辑,信息科技
专业: 材料科学,计算机软件及计算机应用
单位: School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Gardens Point Campus
基金: support by Australian Research Council under Discovery Project (Grant No. DP170103598),the Pawsey Supercomputing Centre through the National Computational Merit Allocation Scheme supported by the Australian Government and the Government of Western Australia
分类号: TB303;TP319
页码: 66-76
总页数: 11
文件大小: 1587K
下载量: 8
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