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

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T. Zelenyak

Dubna State University

编辑信件的主要联系方式.
Email: tatyana.zelenyak@bk.ru
俄罗斯联邦, Dubna, Moscow oblast, 141982

Kh. Rakhmonov

Laboratory of Neutron Physics; National Nuclear Research University MEPhI

Email: tatyana.zelenyak@bk.ru
俄罗斯联邦, Dubna, Moscow oblast, 141980; Moscow, 115409

Kh. Kholmurodov

Dubna State University; Laboratory of Neutron Physics

Email: tatyana.zelenyak@bk.ru
俄罗斯联邦, Dubna, Moscow oblast, 141982; Dubna, Moscow oblast, 141980

P. Gladyshev

Dubna State University

Email: tatyana.zelenyak@bk.ru
俄罗斯联邦, Dubna, Moscow oblast, 141982

A. Tameev

Frumkin Institute of Physical Chemistry and Electrochemistry

Email: tatyana.zelenyak@bk.ru
俄罗斯联邦, Moscow, 119071

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