Comparative Characterization of Relaxed Organic–Inorganic Hybrid Perovskite Structures Using Molecular Dynamic Simulation and X-ray Diffraction Data

Materials based on organic–inorganic hybrid perovskites MAPbX 3 (X = I, Cl, or Br) having unique adsorption characteristics have been considered. Theoretical investigation data obtained by molecular modeling and results of X-ray diffraction measurements of the hybrid organic–inorganic perovskite str...

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Bibliographic Details
Published inHigh energy chemistry Vol. 52; no. 5; pp. 433 - 439
Main Authors Zelenyak, T. Yu, Rakhmonov, Kh. R., Kholmurodov, Kh. T., Gladyshev, P. P., Tameev, A. R.
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 01.09.2018
Springer Nature B.V
Subjects
Chemistry
Chemistry and Materials Science
Chlorides
Molecular dynamics
Nanosized Structures and Materials
Perovskites
Physical Chemistry
X-ray diffraction
radial pair distribution function
photovoltaic devices
molecular modeling (MD)
hybrid organic–inorganic perovskites
X-ray diffraction analysis
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Summary:Materials based on organic–inorganic hybrid perovskites MAPbX 3 (X = I, Cl, or Br) having unique adsorption characteristics have been considered. Theoretical investigation data obtained by molecular modeling and results of X-ray diffraction measurements of the hybrid organic–inorganic perovskite structures based on methylammonium lead trichloride in different temperature ranges have been analyzed.Z
ISSN:0018-1439
1608-3148
DOI:10.1134/S0018143918050168