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


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Materials based on organic–inorganic hybrid perovskites MAPbX3 (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

Sobre autores

T. Zelenyak

Dubna State University

Autor responsável pela correspondência
Email: tatyana.zelenyak@bk.ru
Rússia, Dubna, Moscow oblast, 141982

Kh. Rakhmonov

Laboratory of Neutron Physics; National Nuclear Research University MEPhI

Email: tatyana.zelenyak@bk.ru
Rússia, Dubna, Moscow oblast, 141980; Moscow, 115409

Kh. Kholmurodov

Dubna State University; Laboratory of Neutron Physics

Email: tatyana.zelenyak@bk.ru
Rússia, Dubna, Moscow oblast, 141982; Dubna, Moscow oblast, 141980

P. Gladyshev

Dubna State University

Email: tatyana.zelenyak@bk.ru
Rússia, Dubna, Moscow oblast, 141982

A. Tameev

Frumkin Institute of Physical Chemistry and Electrochemistry

Email: tatyana.zelenyak@bk.ru
Rússia, Moscow, 119071

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