Band structure engineering in a MoS2/PbI2 van der Waals heterostructure via an external electric field

被引：40

作者：

Ma, Yaqiang ^{[1
]}

Zhao, Xu ^{[1
]}

Wang, Tianxing ^{[1
]}

Li, Wei ^{[1
]}

Wang, Xiaolong ^{[1
,2
]}

Chang, Shanshan ^{[1
]}

Li, Yi ^{[1
]}

Zhao, Mingyu ^{[1
]}

Dai, Xianqi ^{[1
,3
]}

机构：

[1] Henan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Peoples R China

[2] Beijing Univ Posts & Telecommun, State Key Lab Informat Photon & Opt Commun, Beijing 100876, Peoples R China

[3] Zhengzhou Normal Univ, Sch Phys & Elect Engn, Zhengzhou 450044, Henan, Peoples R China

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2016年 / 18卷 / 41期

基金：

中国国家自然科学基金;

关键词：

MOS2; MONOLAYER; STRAIN; LAYER; PEROVSKITE; GRAPHENE; CH3NH3PBI3; EFFICIENCY; GROWTH; STATE;

D O I：

10.1039/c6cp06046c

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Band structure engineering in a MoS2/PbI2 van der Waals (vdW) heterostructure under an external electric field (E-field) is investigated using density functional theory (DFT). It is demonstrated that the MoS2/PbI2 vdW heterostructure has a type-II heterojunction with a direct bandgap, and thus the lowest energy electron-hole pairs are spatially separated. Meanwhile, the band structure could be effectively modulated under an E-field and the bandgap shows linear variations with the E-field, indicating a giant Stark effect. This gets further support from the band edges of MoS2 and PbI2 in the heterostructure. Moreover, the MoS2/PbI2 vdW heterostructure experiences transitions from type-II to type-I and then to type-II under various E-fields. Our calculated results pave the way for experimental research and provide a new perspective for the application of the vdW heterostructure in electronic and optoelectronic devices.

引用

页码：28466 / 28473

页数：8

共 52 条

[1] Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3) PbI3 for solid-state sensitised solar cell applications [J].

Baikie, Tom ;

Fang, Yanan ;

Kadro, Jeannette M. ;

Schreyer, Martin ;

Wei, Fengxia ;

Mhaisalkar, Subodh G. ;

Graetzel, Michael ;

White, Tim J. .

JOURNAL OF MATERIALS CHEMISTRY A, 2013, 1 (18) :5628-5641

[2]

Bermudez A., 2011, PHYS REV LETT, V107, P3745

[3] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[4] Centimeter Scale Patterned Growth of Vertically Stacked Few Layer Only 2D MoS2/WS2 van der Waals Heterostructure [J].

Choudhary, Nitin ;

Park, Juhong ;

Hwang, Jun Yeon ;

Chung, Hee-Suk ;

Dumas, Kenneth H. ;

Khondaker, Saiful I. ;

Choi, Wonbong ;

Jung, Yeonwoong .

SCIENTIFIC REPORTS, 2016, 6

[5] Transformation of the Excited State and Photovoltaic Efficiency of CH3NH3PbI3 Perovskite upon Controlled Exposure to Humidified Air [J].

Christians, Jeffrey A. ;

Miranda Herrera, Pierre A. ;

Kamat, Prashant V. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015, 137 (04) :1530-1538

[6] Near-ideal electrical properties of InAs/WSe2 van der Waals heterojunction diodes [J].

Chuang, Steven ;

Kapadia, Rehan ;

Fang, Hui ;

Chang, Ting Chia ;

Yen, Wen-Chun ;

Chueh, Yu-Lun ;

Javey, Ali .

APPLIED PHYSICS LETTERS, 2013, 102 (24)

[7] Polycrystalline lead iodide films produced by solution evaporation and tested in the mammography X-ray energy range [J].

Condeles, J. F. ;

Mulato, M. .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2016, 89 :39-44

[8]

Dai X., 2015, J APPL PHYS, V117, P666

[9] Boron nitride substrates for high-quality graphene electronics [J].

Dean, C. R. ;

Young, A. F. ;

Meric, I. ;

Lee, C. ;

Wang, L. ;

Sorgenfrei, S. ;

Watanabe, K. ;

Taniguchi, T. ;

Kim, P. ;

Shepard, K. L. ;

Hone, J. .

NATURE NANOTECHNOLOGY, 2010, 5 (10) :722-726

[10] Emergence of ferroelectricity and spin-valley properties in two-dimensional honeycomb binary compounds [J].

Di Sante, Domenico ;

Stroppa, Alessandro ;

Barone, Paolo ;

Whangbo, Myung-Hwan ;

Picozzi, Silvia .

PHYSICAL REVIEW B, 2015, 91 (16)

← 1 2 3 4 5 6 →