First-Principles Study of Enhanced Out-of-Plane Transport Properties and Stability in Dion Jacobson Two-Dimensional Perovskite Semiconductors for High-Performance Solar Cell Applications

doi:10.1021/acs.jpclett.9b01360

	First-Principles Study of Enhanced Out-of-Plane Transport Properties and Stability in Dion Jacobson Two-Dimensional Perovskite Semiconductors for High-Performance Solar Cell Applications
	Xu, Zhuo 1; Chen, Ming 1; Liu, Shengzhong Frank 1,2
刊名	JOURNAL OF PHYSICAL CHEMISTRY LETTERS
	2019-07-04
卷号	10 期号:13 页码:3670-3675
ISSN号	1948-7185
DOI	10.1021/acs.jpclett.9b01360
通讯作者	Liu, Shengzhong Frank(szliu@dicp.ac.cn)
英文摘要	Two-dimensional (2D) perovskites have attracted much attention in research for solar cell applications because of their increased stability. The versatile structures of 2D perovskites enable fine-tuning of their optoelectronic properties. Newly reported Dion Jacobson (DJ) perovskites have shown superior out-of-plane charge transport properties and better stability than the Ruddlesden-Popper (RP)-type perovskites because of their freedom from weak van der Waals interactions between adjacent layers. Tunable band gaps of 2D AMX(4) can be achieved by alternatively substituting the corresponding compositions at A, M, and X sites, and significantly enhanced stability is observed because of the two hydrogen bonds formed at both ends of the divalent organic cation. Enhanced interlayer charge transport properties are found in DJ perovskites because of the short apical I-I distance in AMX(4) perovskites, especially for PDAPbI(4) and PDASnI(4) perovskites. These findings provide us effective ways to tune the stability and optoelectronic properties of 2D perovskites.
资助项目	National Key Research and Development Program of China[2017YFA0204800/2016YFA0202403] ; National Natural Science Foundation of China[91733301/61704098/61604091] ; DNL Cooperation Fund CAS[DNL180311] ; 111 Project[B14041] ; Changjiang Scholar and Innovative Research Team[IRT_14R33] ; China Postdoctoral Science foundation[2018M633455]
WOS关键词	CHARGE-CARRIER MOBILITIES ; IODIDE PEROVSKITES ; HALIDE PEROVSKITES ; ION MIGRATION ; EFFICIENT
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000474812600024
资助机构	National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; DNL Cooperation Fund CAS ; DNL Cooperation Fund CAS ; 111 Project ; 111 Project ; Changjiang Scholar and Innovative Research Team ; Changjiang Scholar and Innovative Research Team ; China Postdoctoral Science foundation ; China Postdoctoral Science foundation ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; DNL Cooperation Fund CAS ; DNL Cooperation Fund CAS ; 111 Project ; 111 Project ; Changjiang Scholar and Innovative Research Team ; Changjiang Scholar and Innovative Research Team ; China Postdoctoral Science foundation ; China Postdoctoral Science foundation ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; DNL Cooperation Fund CAS ; DNL Cooperation Fund CAS ; 111 Project ; 111 Project ; Changjiang Scholar and Innovative Research Team ; Changjiang Scholar and Innovative Research Team ; China Postdoctoral Science foundation ; China Postdoctoral Science foundation ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; DNL Cooperation Fund CAS ; DNL Cooperation Fund CAS ; 111 Project ; 111 Project ; Changjiang Scholar and Innovative Research Team ; Changjiang Scholar and Innovative Research Team ; China Postdoctoral Science foundation ; China Postdoctoral Science foundation
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/175297]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者	Liu, Shengzhong Frank
作者单位	1.Shaanxi Normal Univ, Sch Mat Sci & Engn,Natl Minist Educ, Inst Adv Energy Mat,Key Lab Appl Surface & Colloi, Shaanxi Key Lab Adv Energy Devices,Shaanxi Engn L, Xian 710119, Shaanxi, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian Natl Lab Clean Energy, State Key Lab Catalysis, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Xu, Zhuo,Chen, Ming,Liu, Shengzhong Frank. First-Principles Study of Enhanced Out-of-Plane Transport Properties and Stability in Dion Jacobson Two-Dimensional Perovskite Semiconductors for High-Performance Solar Cell Applications[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2019,10(13):3670-3675.
APA	Xu, Zhuo,Chen, Ming,&Liu, Shengzhong Frank.(2019).First-Principles Study of Enhanced Out-of-Plane Transport Properties and Stability in Dion Jacobson Two-Dimensional Perovskite Semiconductors for High-Performance Solar Cell Applications.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,10(13),3670-3675.
MLA	Xu, Zhuo,et al."First-Principles Study of Enhanced Out-of-Plane Transport Properties and Stability in Dion Jacobson Two-Dimensional Perovskite Semiconductors for High-Performance Solar Cell Applications".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 10.13(2019):3670-3675.