التفاصيل البيبلوغرافية
| العنوان: |
Polarization-Controlled Surface Defect Formation in a Hybrid Perovskite. |
| المؤلفون: |
Zhu TY; National Laboratory of Solid State Microstructures, School of Physics, and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China., Shu DJ; National Laboratory of Solid State Microstructures, School of Physics, and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China. |
| المصدر: |
The journal of physical chemistry letters [J Phys Chem Lett] 2021 Apr 29; Vol. 12 (16), pp. 3898-3906. Date of Electronic Publication: 2021 Apr 16. |
| نوع المنشور: |
Journal Article |
| اللغة: |
English |
| بيانات الدورية: |
Publisher: American Chemical Society Country of Publication: United States NLM ID: 101526034 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1948-7185 (Electronic) Linking ISSN: 19487185 NLM ISO Abbreviation: J Phys Chem Lett Subsets: PubMed not MEDLINE; MEDLINE |
| أسماء مطبوعة: |
Original Publication: Washington, D.C. : American Chemical Society |
| مستخلص: |
Hybrid perovskites have two properties that are absent in traditional inorganic photovoltaic materials, namely, polarization and mobile ionic defects, the interaction between which may introduce new features into the materials. By using the first-principles calculations, we find that the formation energies of the vacancy defects at a tetragonal MAPbI 3 (110) surface are highly related to the surface polarization. The positive total polarization and local polarization of MA facilitate the formation of surface MA vacancies, whereas the negative total polarization and local polarization of MAI are favorable for the formation of surface iodine vacancies. The phenomena can be explained quantitatively on the basis of the two kinds of Coulomb interactions between the charged defect and the polarization-induced electrostatic field. The comprehensive insights into the interaction between the polarization and the ionic defects in hybrid perovskites can provide a new avenue for defect control for high-performance perovskite solar cells via surface polarization. |
| تواريخ الأحداث: |
Date Created: 20210416 Latest Revision: 20210429 |
| رمز التحديث: |
20240628 |
| DOI: |
10.1021/acs.jpclett.1c00702 |
| PMID: |
33861073 |
| قاعدة البيانات: |
MEDLINE |
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