南方科技大学知识苑(SUSTech KC): New Family of Two-Dimensional Group-(II3-V-2) Photoelectric Materials

题名	New Family of Two-Dimensional Group-(II3-V-2) Photoelectric Materials
作者	Xu, Wangping 1,2,3; Wang, Rui 1; Jin, Yuanjun2,3 ; Wu, Xiaozhi 1; Xu, Hu2,3
通讯作者	Wu, Xiaozhi; Xu, Hu
发表日期	2019-07-11
DOI	10.1021/acs.jpcc.9b04219
发表期刊	Journal of Physical Chemistry C 影响因子和分区
ISSN	1932-7447
卷号	123 期号:27页码:16851-16856
摘要	Two-dimensional (2D) materials with direct and modest band gaps and high mobility are desired not only for the intrinsic interest they attract but also for their practical application for optoelectronic devices. In this work, a new family of 2D binary group (II3-V-2) materials, named, X3Y2 (X = Mg and Ca and Sr; Y = P and As), was predicted by using high throughput first-principles calculations. Our accurate quasiparticle calculations indicate that these candidates have direct band gaps and excellent optical absorption in the visible region. Moreover, all the proposed 2D X3Y2 materials possess extremely high electron mobility (up to 2.46 X 10(4) cm(2) V-1 s(-1)) close to that of phosphorene. In addition, 2D Ca3P2 is estimated to have an outstanding power conversion efficiency of 21.1%, suggesting that Ca3P2 is a promising donor material for solar cells. Our findings effectively broaden the candidates of 2D photoelectronic materials.
相关链接	[来源记录]
收录类别	SCI ; EI
语种	英语
学校署名	通讯
资助项目	Science, Technology and Innovation Commission of Shenzhen Municipality[ZDSYS20170303165926217]
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS记录号	WOS:000475537500038
出版者	AMER CHEMICAL SOC
EI入藏号	20193107259210
EI主题词	Calcium compounds ; Calculations ; Energy gap ; Light absorption ; Optoelectronic devices
EI分类号	Light/Optics:741.1 ; Optical Devices and Systems:741.3 ; Mathematics:921
来源库	Web of Science
引用统计	被引频次[WOS]：4
成果类型	期刊论文
条目标识符	http://sustech.caswiz.com/handle/2SGJ60CL/25522
专题	理学院_物理系
作者单位	1.Chongqing Univ, Dept Phys, Chongqing 401331, Peoples R China 2.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China 3.Southern Univ Sci & Technol, Shenzhen Key Lab Quantum Sci & Engn, Shenzhen 518055, Peoples R China
第一作者单位	物理系; 南方科技大学
通讯作者单位	物理系; 南方科技大学
推荐引用方式 GB/T 7714	Xu, Wangping,Wang, Rui,Jin, Yuanjun,et al. New Family of Two-Dimensional Group-(II3-V-2) Photoelectric Materials[J]. Journal of Physical Chemistry C,2019,123(27):16851-16856.
APA	Xu, Wangping,Wang, Rui,Jin, Yuanjun,Wu, Xiaozhi,&Xu, Hu.(2019).New Family of Two-Dimensional Group-(II3-V-2) Photoelectric Materials.Journal of Physical Chemistry C,123(27),16851-16856.
MLA	Xu, Wangping,et al."New Family of Two-Dimensional Group-(II3-V-2) Photoelectric Materials".Journal of Physical Chemistry C 123.27(2019):16851-16856.