|
|||||
|
|
Theoretical assessment of metal ions doping of hybrid lead bromide perovskites |
|
| Affiliation: | 1. Department of Materials Science, M. V. Lomonosov Moscow State University, 119991 Moscow, Russian Federation;2. Department of Geology, M. V. Lomonosov Moscow State University, 119991 Moscow, Russian Federation;3. Faculty of Materials Science, Shenzhen MSU-BIT University, Longgang District, 518572 Shenzhen, China;4. Department of Chemistry, M. V. Lomonosov Moscow State University, 119991 Moscow, Russian Federation |
| Abstract: | A new system of effective radii of metal ions in the bromide environment has been developed to analyze the dopability and preferable lattice positions for 40 different cations in the structure of wide-gap bromide perovskites with a huge potential for applications in optoelectronics, depending on the appropriate doping. The analysis carried out provides theoretical guidance on rational doping from a crystal chemistry point of view and highlights clear differences compared to well-known lead iodide perovskites. |
| Keywords: | hybrid perovskites metal doping effective radii heterogeneous doping defects tolerance effects electronegativity ion softness classification |
| 本文献已被 ScienceDirect 等数据库收录！ | |