The influence of localized states on the optical absorption and carrier transport properties of acylamino hybrid perovskites with tunable electronic structures |
| |
| Institution: | 1. Department of Physics, Beijing Jiaotong University, Beijing 100044, China;2. Key Laboratory of Luminescence and Optical Information, Ministry of Education, Beijing Jiaotong University, Beijing 100044, China;1. Nuclear Technology Research Centre, Faculty of Science and Technology, Universiti Kebangsaan Malaysia (UKM), 43600 Bangi, Selangor, Malaysia;2. Department of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia (UKM), 43600 Bangi, Selangor, Malaysia;3. Department of Physics, Mawlana Bhashani Science and Technology University, Santosh, Tangail-1902, Bangladesh;1. Punjab Education Department Sahiwal, Pakistan;2. School of Mathematical Sciences, Jiangsu Key Labortary for NSLSCS, Nanjing Normal University, Nanjing, 210023, People’s Republic of China;3. School of Mathematical Sciences, Jiangsu Key Labortary for NSLSCS, Nanjing Normal University, Nanjing, 210023, People’s Republic of China;4. Department of Mathematics, Shanghai University, Shanghai, Shanghai, 200444, People’s Republic of China;1. Department of Physics, Bahauddin Zakariya, University Multan, 60800, Pakistan;2. Department of Physics, College of Science, Princess Nourah Bint Abdulrahman University, 11671, Riyadh, Saudi Arabia;3. Department of Physics, Faculty of Science, Taibah University, Medina, Saudi Arabia;4. Department of Physics, University of Education, Lahore, Dera Ghazi Khan Campus., Pakistan;5. Department of Zoology, faculty of Science, Ghazi University Dera Ghazi Khan, Pakistan;6. Department of Mathematics, Khwaja Fareed University of Engineering and Information Technology, Abu Dhabi Road, Rahim Yar Khan;1. Department of Physics, National Sun Yat-sen University, Kaohsiung 80424, Taiwan;2. Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan;3. Institute of Physics, Academia Sinica, Nankang 11529, Taiwan;4. Department of Physics, University of Maryland, College Park, MD 20742, USA;1. Department of Physics, Saratov State University, 83 Astrakhanskaya Street, Saratov, 410012, Russia;2. Institute for Applied Materials – Applied Materials Physics, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen 76344, Germany;3. Institute for Metals Superplasticity Problems of RAS, Ufa 450001, Russia;5. Institute of Molecule and Crystal Physics, Ufa Federal Research Center of RAS, Ufa 450075, Russia |
| |
| Abstract: | Organic-inorganic hybrid perovskite solar cells have excellent optoelectronic properties, but their low thermal and chemical stabilities limit their commercial applications. In this paper, a new type of organic-inorganic hybrid perovskite is proposed. Malondiamide (MA,CH2(CONH2)2) and propionamide (PA, CH3CH2CONH2) were used as organic layers, with Pb-I octahedral inorganic layers to form quasi three-dimensional (3D) perovskites. The crystal structure, stability, electronic structure, and optical properties of MAPbI4 and PAPbI4 perovskites were investigated, and the results showed that there were localized states that corresponded to the number of acyl groups in the two perovskites. Energy band calculations showed that the localized states of the two perovskites rose above the bottom of the conduction band. This can be used to regulate the band gap of the two perovskites, which affects the electronic properties and optical absorption characteristics of the two perovskites. Compared with PAPbI4, MAPbI4 has a lower formation energy, lower band gap, lower effective mass of electrons and holes, wider energy range, and larger absorption coefficient, which indicates that MAPbI4 is more suitable for use in solar cells. This study provides guidance for obtaining efficient and stable photovoltaic materials. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
