Recent progress on the prediction of two-dimensional materials using CALYPSO

Recent progress on the prediction of two-dimensional materials using CALYPSO

论文摘要

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.

论文目录

文章来源

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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Recent progress on the prediction of two-dimensional materials using CALYPSO
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