Find in Library
Search millions of books, articles, and more
Indexed Open Access Databases
A New Zero-Dimensional (CsK<sub>2</sub>)BiCl<sub>6</sub> Metal Halide: Boosting Emission via B-Site Mn-Doping
oleh: Jie Wu, Shuai Zhang, Jun Yan, Bingsuo Zou, Ruosheng Zeng
Format: | Article |
---|---|
Diterbitkan: | MDPI AG 2022-11-01 |
Deskripsi
The A site of zero-dimensional (0D) metal halides A<sub>3</sub>BiCl<sub>6</sub> can be replaced by Cs and/or K, thus, four possible 0D A<sub>3</sub>BiCl<sub>6</sub> forms exist, such as (Cs<sub>2</sub>K)BiCl<sub>6</sub>, (CsK<sub>2</sub>)BiCl<sub>6</sub>, K<sub>3</sub>BiCl<sub>6</sub> and Cs<sub>3</sub>BiCl<sub>6</sub>. It is well known that Cs<sub>3</sub>BiCl<sub>6</sub> has been reported. We predict that both (Cs<sub>2</sub>K)BiCl<sub>6</sub> and K<sub>3</sub>BiCl<sub>6</sub> do not have enough structural and thermodynamic stability, but (CsK<sub>2</sub>)BiCl<sub>6</sub> should be a 0D stable A<sub>3</sub>BiCl<sub>6</sub> candidate based on density functional theory (DFT). Furthermore, 0D (CsK<sub>2</sub>)BiCl<sub>6</sub> metal halide was experimentally prepared by the solvothermal method. Though (CsK<sub>2</sub>)BiCl<sub>6</sub> metal halide exhibits an indirect bandgap and poor luminescence properties, the emission can be boosted by B-site Mn-doping due to the efficient energy transfer from self-trapped excitons (STE) to the d-state of Mn ions. Our results enrich the family of 0D bi-based metal halides and provide guidance for the regulation of the structural and optical properties of metal halides.