Role of Halogen Atoms on High-Efficiency Mn2+ Emission in Two-Dimensional Hybrid Perovskites

Guojun Zhou; Xiaofang Jia; Shaoqiang Guo; Maxim Molokeev; Junying Zhang; Zhiguo Xia

doi:10.1021/acs.jpclett.9b01996

Role of Halogen Atoms on High-Efficiency Mn²⁺ Emission in Two-Dimensional Hybrid Perovskites

J Phys Chem Lett. 2019 Aug 15;10(16):4706-4712. doi: 10.1021/acs.jpclett.9b01996. Epub 2019 Aug 6.

Authors

Guojun Zhou¹, Xiaofang Jia², Shaoqiang Guo², Maxim Molokeev^{3

4

5}, Junying Zhang², Zhiguo Xia^{1

6}

Affiliations

¹ The Beijing Municipal Key Laboratory of New Energy Materials and Technologies School of Materials Sciences and Engineering , University of Science and Technology Beijing , Beijing 100083 , China.
² Key Laboratory of Micro-Nano Measurement, Manipulation and Physics (Ministry of Education), School of Physics , Beihang University , Beijing 100191 , China.
³ Laboratory of Crystal Physics, Kirensky Institute of Physics , Federal Research Center KSC SB RAS , Krasnoyarsk 660036 , Russia.
⁴ Siberian Federal University , Krasnoyarsk 660041 , Russia.
⁵ Department of Physics , Far Eastern State Transport University , Khabarovsk 680021 , Russia.
⁶ State Key Laboratory of Luminescent Materials and Devices and Institute of Optical Communication Materials , South China University of Technology , Guangzhou 510641 , China.

PMID: 31361963
DOI: 10.1021/acs.jpclett.9b01996

Abstract

Doped halide pervoskites as highly efficient light emitters have recently fascinated the research community, while the influence of halogen atoms X (X = Cl, Br, I) on the hybrid energy levels and photoluminescence properties remains a challenge. Here, the role of X compositions in the two-dimensional hybrid perovskite BA₂PbX₄ (BA = C₄H₉NH₃) on the doped Mn²⁺ emission is identified, wherein Mn²⁺ reveals a strong luminescence dependence on the nature of the halogen, and optimum Mn²⁺ emission with a record quantum yield of 60.1% has been achieved in BA₂PbBr₄. Density functional theory calculations show that BA₂PbBr₄ holds low Br vacancy concentration and unique coupled states of the Mn-3d level and Pb-6p level at the conduction band minimum, leading to efficient energy transfer from the host to Mn²⁺. Our work sheds new light on the methods to realize strong exciton-dopant exchange coupling for achieving high-efficiency dopant luminescence.