Modulated luminescence of zero-dimensional bimetallic all-inorganic halide clusters

Zhang, Chao1; Feng, Xuezhen2; Song, Qilin1; Zhou, Chaocheng1; Peng, Lin1; Liu, Xiaolin1; Chen, Hong2; Lin, Jia1

2022-06-01

10.1039/d2qi00620k

Inorganic Chemistry Frontiers   Impact Factor & Quartile

2052-1553

Zero-dimensional (0D) metal halide clusters formed as isolated metal halide polyhedral structures show excellent optical properties and have great potential for various applications in optoelectronic devices. In this study, we reported a series of Rb8CuB(iii)(3)Cl-18 single crystals (SCs) constructed from Cu(i) and B(iii) (B = In, Tb, etc.) containing lead-free bimetallic halide clusters. Density functional theory calculations have been used to explore the thermodynamic stability of the expected bimetallic halide clusters, in which the ionic radius of B(iii) trivalent metal cations should be within the range of 0.74 to 0.99 angstrom in order to form a stable Rb8CuB(iii)(3)Cl-18 0D structure in line with the same structure configuration. By analyzing the effects of different B(iii) cations on the structural parameters and optical-physical properties, we found that the luminescence of SCs could be modulated by different B(iii) cations, while the luminescence originated from the charge transfer from Cu(i) ions to metal-chloride octahedra. This study reported the rational design of novel-structured Cu(i)-based inorganic lead-free metal halide materials, which paves the way for the exploration of new luminescent materials.

SCI ; EI

English

Corresponding

National Natural Science Foundation of China[12174246,61875119] ; Science and Technology Commission of Shanghai Municipality[21010501300]

Chemistry

Chemistry, Inorganic & Nuclear

WOS:000815204000001

ROYAL SOC CHEMISTRY

20222712307308

Charge transfer ; Chlorine compounds ; Copper compounds ; Density functional theory ; Lead compounds ; Metal halides ; Metals ; Optical properties ; Optoelectronic devices ; Perovskite ; Positive ions ; Rubidium compounds ; Thermodynamic stability

Minerals:482.2 ; Thermodynamics:641.1 ; Light/Optics:741.1 ; Optical Devices and Systems:741.3 ; Chemical Reactions:802.2 ; Chemical Products Generally:804 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

Web of Science

1.Shanghai Univ Elect Power, Dept Phys, Shanghai 200090, Peoples R China
2.Southern Univ Sci & Technol, Sch Environm Sci & Engn,State Environm Protect Ke, Guangdong Prov Key Lab Soil & Groundwater Pollut, Shenzhen Key Lab Interfacial Sci & Engn Mat, Shenzhen 518055, Peoples R China

Zhang, Chao,Feng, Xuezhen,Song, Qilin,et al. Modulated luminescence of zero-dimensional bimetallic all-inorganic halide clusters[J]. Inorganic Chemistry Frontiers,2022,9:3728-3736.

Zhang, Chao.,Feng, Xuezhen.,Song, Qilin.,Zhou, Chaocheng.,Peng, Lin.,...&Lin, Jia.(2022).Modulated luminescence of zero-dimensional bimetallic all-inorganic halide clusters.Inorganic Chemistry Frontiers,9,3728-3736.

Zhang, Chao,et al."Modulated luminescence of zero-dimensional bimetallic all-inorganic halide clusters".Inorganic Chemistry Frontiers 9(2022):3728-3736.