Investigation of the Mn dopant-enhanced photoluminescence performance of lead-free Cs2AgInCl6 double perovskite crystals

التفاصيل البيبلوغرافية
العنوان: Investigation of the Mn dopant-enhanced photoluminescence performance of lead-free Cs2AgInCl6 double perovskite crystals
المؤلفون: Gan Yu, Wei-Yan Cong, Ying-Bo Lu, Wentiao Wu, ChengBo Guan, Hui Sun, Ruotong Yin
المصدر: Physical Chemistry Chemical Physics. 22:1815-1819
بيانات النشر: Royal Society of Chemistry (RSC), 2020.
سنة النشر: 2020
مصطلحات موضوعية: Photoluminescence, Materials science, Dopant, Band gap, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, 0104 chemical sciences, Ion, Atomic electron transition, Excited state, Vacancy defect, Physical and Theoretical Chemistry, 0210 nano-technology, Ground state
الوصف: The lead-free double perovskite Cs2AgInCl6 is a potential candidate for LEDs, the photoluminescence performance of which is reinforced greatly by Mn doping. Here, we analyzed the geometric, electronic and photoluminescence properties of Mn-doped Cs2AgInCl6 by means of first-principle calculations. We found that in the interior of Cs2AgInCl6, the Mn dopant formed defect complexes by substituting an Ag atom and generating an Ag vacancy (MnAgVAg) owing to the charge balance and the weak distortion of the metal octahedra. The MnAgVAg defect introduced two defect bands in the forbidden gap, which was contributed predominantly by the 3d orbitals of the Mn2+ ions. The electron transition of the Mn2+ ions from the first excited state to the ground state, i.e., from 4T1 to 6A1 states, gives rise to the PL spectrum that is lower than the bandgap. Therefore, we show that the Mn dopant indeed reinforces the PL performance of Cs2AgInCl6 greatly and is beneficial for its use as an LED material.
تدمد: 1463-9084
1463-9076
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::51c2cbe1f339b304c2642ff983489f43
https://doi.org/10.1039/c9cp05236d
حقوق: CLOSED
رقم الأكسشن: edsair.doi...........51c2cbe1f339b304c2642ff983489f43
قاعدة البيانات: OpenAIRE