The effect of divalent europium doping on stability and electronic properties of CH3NH3PbI3: a theoretical investigation

被引：3
|
作者：
Liu, Diwen [1 ]
Sa, Rongjian [2 ]
Ma, Zuju [3 ]
机构：
[1] Pingxiang Univ, Coll Mat & Chem Engn, Pingxiang 337055, Peoples R China
[2] Minjiang Univ, Inst Oceanog, Fuzhou 350108, Fujian, Peoples R China
[3] Yantai Univ, Sch Environm & Mat Engn, Yantai 264005, Peoples R China
来源：
APPLIED PHYSICS EXPRESS | 2020年 / 13卷 / 10期
基金：
中国国家自然科学基金;
关键词：
CH3NH3PbI3; Eu doping; Stability; Electronic structure; HALIDE PEROVSKITES; SOLAR-CELLS; EFFICIENCY; PB; 1ST-PRINCIPLES; LANTHANIDE; TIN;
D O I：
10.35848/1882-0786/abb3d7
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
In the present study, we have investigated the effect of Eu(2+)doping on the stability and electronic properties of MAPbI(3)based on first-principles calculations. Our calculated results indicate that Eu doping is a good strategy to improve the structural stability of MAPbI(3). The predicted band gaps for the Eu-doped MAPbI(3)are in the range of 1.5-2.8 eV. A direct-to-indirect band gap transition is observed for the Eu-doped perovskite systems. MAPb(0.75)Eu(0.25)I(3)and MAPb(0.50)Eu(0.50)I(3)are potential candidate materials for applications in single-junction solar cells, and the content of the toxic element Pb can be further reduced to a certain extent.
引用
收藏
页数：5
相关论文
共 50 条
  • [21] Electronic structures at the interface between Au and CH3NH3PbI3
    Liu, Xiaoliang
    Wang, Chenggong
    Lyu, Lu
    Wang, Congcong
    Xiao, Zhengguo
    Bi, Cheng
    Huang, Jinsong
    Gao, Yongli
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (02) : 896 - 902
  • [22] Synthesis and characterization of photosensible CH3NH3PbI3 and CH3NH3PbI3–xClx perovskite crystalline films
    Plesco I.
    Postolache V.
    Volodina G.
    Zalamai V.
    Ghimpu L.
    Tiginyanu I.
    Surface Engineering and Applied Electrochemistry, 2017, 53 (1) : 15 - 19
  • [23] Multi Band Gap Electronic Structure in CH3NH3PbI3
    Ong, Khuong P.
    Wu, Shunnian
    Tien Hoa Nguyen
    Singh, David J.
    Fan, Zhen
    Sullivan, Michael B.
    Cuong Dang
    SCIENTIFIC REPORTS, 2019, 9 (1)
  • [24] Degradation of Two-Dimensional CH3NH3PbI3 Perovskite and CH3NH3PbI3/Graphene Heterostructure
    Wang, Ziyu
    Ou, Qingdong
    Zhang, Yupeng
    Zhang, Qianhui
    Hoh, Hui Ying
    Bao, Qaoliang
    ACS APPLIED MATERIALS & INTERFACES, 2018, 10 (28) : 24258 - 24265
  • [25] Interfacial electronic structure at the CH3NH3PbI3/MoOx interface
    Liu, Peng
    Liu, Xiaoliang
    Lyu, Lu
    Xie, Haipeng
    Zhang, Hong
    Niu, Dongmei
    Huang, Han
    Bi, Cheng
    Xiao, Zhengguo
    Huang, Jinsong
    Gao, Yongli
    APPLIED PHYSICS LETTERS, 2015, 106 (19)
  • [26] Effect of crystal structures on the stability of CH3NH3PbI3 under humidity environment
    Chen, Jian
    Shi, Tongfei
    Li, Xinhua
    Zhou, Bukang
    Cao, Huaxiang
    Wang, Yuqi
    SOLAR ENERGY, 2016, 136 : 470 - 474
  • [27] Spin transport in CH3NH3PbI3
    Xu, Qingyu
    Liu, Er
    Qin, Sai
    Shi, Shan
    Shen, Kai
    Xu, Mingxiang
    Zhai, Ya
    Dong, Shuai
    JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2014, 47 (40)
  • [28] On the ferroelectricity of CH3NH3PbI3 perovskites
    Alexander D. Schulz
    Holger Röhm
    Tobias Leonhard
    Susanne Wagner
    Michael J. Hoffmann
    Alexander Colsmann
    Nature Materials, 2019, 18 : 1050 - 1050
  • [29] On the ferroelectricity of CH3NH3PbI3 perovskites
    Schulz, Alexander D.
    Roehm, Holger
    Leonhard, Tobias
    Wagner, Susanne
    Hoffmann, Michael J.
    Colsmann, Alexander
    NATURE MATERIALS, 2019, 18 (10) : 1050 - 1050
  • [30] CH3NH3PBI3 IV Output Parameters Degradation Investigation
    Orlova, M. N.
    Didenko, S. I.
    Saranin, D. S.
    Rabinovich, O. I.
    Krukov, A. Y.
    Kolesnikov, A. V.
    JOURNAL OF NANO- AND ELECTRONIC PHYSICS, 2016, 8 (04)
12345