南方科技大学知识苑(SUSTech KC): High mobility and excellent thermoelectric performance monolayer ZnX(2)Z(4) (X = In, Al, Ga; Z = S, Se, Te) materials

题名	High mobility and excellent thermoelectric performance monolayer ZnX(2)Z(4) (X = In, Al, Ga; Z = S, Se, Te) materials
作者	Shi, Li 1,2,3; Lv, Chunyan 3; Wei, Haoran 1,2; Xu, Wangping 4; Wang, Rui 1,2; Fan, Jing5 ; Wu, Xiaozhi 1,2
通讯作者	Lv, Chunyan; Xu, Wangping; Wu, Xiaozhi
发表日期	2023-03-01
DOI	10.1039/d3cp00594a
发表期刊	PHYSICAL CHEMISTRY CHEMICAL PHYSICS 影响因子和分区
ISSN	1463-9076
EISSN	1463-9084
卷号	25 期号:15
摘要	Recently, two-dimensional (2D) layered polarized ZnIn2S4 nanosheets have been successfully synthesized in experiments. However, the polarized monolayers are unstable in air, which hinders their practical applications. Therefore, in this work, we proposed a new family of nonpolarized monolayers (beta(2)-phase) ZnX(2)Z(4) (X = In, Al, and Ga; Z = S, Se, and Te) by first-principles. It is confirmed that the energies of beta(2)-phase ZnX(2)Z(4) are lower than those of the polarized and beta-phase ZnX(2)Z(4) monolayers. Moreover, these ZnX(2)Z(4) monolayers have not only desirable indirect band gaps but also high electron mobility (up to 10(3) cm(2) V-1 s(-1)), revealing a fascinating visible light absorption range. Furthermore, beta(2)-phase ZnX2Te4 (X = In, Al, and Ga) has ultra-low lattice thermal conductivity and high ZT value (up to 0.89), suggesting that these monolayers can be good candidates for thermoelectric materials. These new 2D ternary monolayers not only effectively broaden the family of 2D materials but also provide promising candidates for optoelectronic and thermoelectric materials.
相关链接	[来源记录]
收录类别	SCI
语种	英语
学校署名	其他
资助项目	Natural Science Foundation of China["12174040","12147102","12204398","52273175"] ; Chongqing Natural Science Foundation[cstc2020jcyj-msxmX0118] ; Education Department of Hunan Province[21C0093] ; Foshan (Southern China) Institute for New Materials[2021A1515110127]
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000961866500001
出版者	ROYAL SOC CHEMISTRY
ESI学科分类	CHEMISTRY
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/523988
专题	科学与工程计算中心
作者单位	1.Chongqing Univ, Inst Struct & Funct, Chongqing 401331, Peoples R China 2.Chongqing Univ, Dept Phys, Chongqing 401331, Peoples R China 3.Huzhou Univ, Dept Mat Chem, Huzhou 313000, Peoples R China 4.Xiangtan Univ, Hunan Inst Adv Sensing & Informat Technol, Xiangtan 411105, Peoples R China 5.Southern Univ Sci & Technol, Ctr Computat Sci & Engn, Shenzhen 518055, Peoples R China
推荐引用方式 GB/T 7714	Shi, Li,Lv, Chunyan,Wei, Haoran,et al. High mobility and excellent thermoelectric performance monolayer ZnX(2)Z(4) (X = In, Al, Ga; Z = S, Se, Te) materials[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2023,25(15).
APA	Shi, Li.,Lv, Chunyan.,Wei, Haoran.,Xu, Wangping.,Wang, Rui.,...&Wu, Xiaozhi.(2023).High mobility and excellent thermoelectric performance monolayer ZnX(2)Z(4) (X = In, Al, Ga; Z = S, Se, Te) materials.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,25(15).
MLA	Shi, Li,et al."High mobility and excellent thermoelectric performance monolayer ZnX(2)Z(4) (X = In, Al, Ga; Z = S, Se, Te) materials".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25.15(2023).