Phase transitions, optical and electronic properties of the layered perovskite hybrid [NH3(CH2)2COOH]2CdCl4 of Y-aminobutyric acid (GABA)

被引：9

作者：

AlShammari, Mohammed B. ^{[1
]}

Kaiba, A. ^{[2
]}

Guionneau, P. ^{[3
]}

Geesi, Mohammed H. ^{[1
]}

Aljohani, Talal ^{[4
]}

Riadi, Yassine ^{[5
]}

机构：

[1] Prince Sattam Bin Abdulaziz Univ, Dept Chem, Coll Sci & Humanity Studies, POB 83, Alkharj 11942, Saudi Arabia

[2] Prince Sattam Bin Abdulaziz Univ, Dept Phys, Coll Sci & Humanity Studies, POB 83, Alkharj 11942, Saudi Arabia

[3] Univ Bordeaux, CNRS, ICMCB, UPR 9048, 87 Ave Docteur Schweitzer, F-33600 Pessac, France

[4] King Abdulaziz City Sci & Technol, Riyadh, Saudi Arabia

[5] Prince Sattam Bin Abdulaziz Univ, Coll Pharm, POB 173, Alkharj 11942, Saudi Arabia

来源：

CHEMICAL PHYSICS LETTERS | 2018年 / 702卷

关键词：

Differential Scanning Calorimeter (DSC); X-ray diffraction; Crystal structure; Phase transition; DFT; SOLAR-CELLS; BAND-GAP;

D O I：

10.1016/j.cplett.2018.04.051

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A new organic-inorganic hybrid with the formula (NH3C3H6CO2H)(2)CdCl4 has been crystallized and investigated by X-ray diffraction. Structural investigations highlight a first-order reversible structural phase transition occurring within the range (290-370 K) between a chiral (phase II) and non-centrosymmetric (Phase I) crystal packing. This strong structural reorganization is the result of conformational changes in the organic chains accompanied by a decrease in octahedral distortion. The accurate crystallographic analysis illustrates the crucial role of organic moieties. The experimental energy gap value (3.65 eV) is in good agreement with the theoretical value obtained by density functional theory. (C) 2018 Published by Elsevier B.V.

引用

页码：8 / 15

页数：8

共 36 条

[1] Phase transition in organic-inorganic perovskite (C9H19NH3)2 PbI2Br2 of long-chain alkylammonium [J].