scholarly journals First-principles study on the electric structure and ferroelectricity in epitaxial CsSnI3 films

RSC Advances ◽  
2017 ◽  
Vol 7 (65) ◽  
pp. 41077-41083 ◽  
Author(s):  
Guang Song ◽  
Benling Gao ◽  
Guannan Li ◽  
Jun Zhang
Keyword(s):  
First Principles ◽  
Inorganic Hybrid ◽  
Energy Applications ◽  
First Principles Study ◽  
Epitaxial Strain ◽  
Hybrid Perovskite ◽  
Perovskite Material ◽  
Electric Structure

Epitaxial strain can induce ferroelectricity and enhance the polarization in the inorganic hybrid perovskite material CsSnI3 for energy applications.

First-principles study of the quasi-one-dimensional organic-inorganic hybrid perovskites (MV)AI3Cl2 ( MV=methylviologen ; A=Bi,Sb )

2021 ◽  
Vol 104 (7) ◽  
Author(s):  
Chao Wang ◽  
Yunlin Lei ◽  
Winnie Wong-Ng ◽  
Qiang Gu ◽  
Xingxing Wu ◽  
...  
Keyword(s):  
First Principles ◽  
Inorganic Hybrid ◽  
One Dimensional ◽  
First Principles Study

Decisive Influence of Amorphous PbI2-x on Photodegradation of Halide Perovskite

2021 ◽  
Author(s):  
Yue Lu ◽  
Jingcong Hu ◽  
Yang Ge ◽  
Bohai Tian ◽  
Zeyu Zhang ◽  
...  
Keyword(s):  
Inorganic Hybrid ◽  
Decisive Influence ◽  
Hybrid Perovskite ◽  
Perovskite Material ◽  
Halide Perovskite

Capturing the photolysis process of archetypal perovskite material (such as methylammonium lead triiodide, MAPbI3) into metallic Pb0 is fundamentally important to understand the photodegradation pathway of organic-inorganic hybrid perovskite (OIHP)....

scholarly journals First-principles study of epitaxial strain in perovskites

2005 ◽  
Vol 72 (14) ◽  
Author(s):  
Oswaldo Diéguez ◽  
Karin M. Rabe ◽  
David Vanderbilt
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Epitaxial Strain

Electronic excitation induced hydrogen-bond adjustment and lattice control in organic–inorganic hybrid cubic perovskites: a fixed occupation molecular dynamics study

2017 ◽  
Vol 19 (38) ◽  
pp. 26164-26168 ◽  
Author(s):  
Mo-Ran Wang ◽  
Xiang-Yang Ren ◽  
Xian-Bin Li ◽  
Nian-Ke Chen ◽  
Hong-Bo Sun
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
First Principles ◽  
Electronic Excitation ◽  
Inorganic Hybrid ◽  
Cubic Symmetry ◽  
First Principles Study

Fixed occupation first-principles study reveals the effect of electronic excitation on lattice of cubic perovskite MAPbI3. With excitations, the hydrogen bonding between MA molecules and inorganic lattice is weakened and the cubic symmetry is recovered.

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