Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics-Reference-Cited by-同舟云学术

Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics

Published:2015 Issue:14 Volume:17 Page:9394-9409
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Quarti Claudio¹²³⁴,Mosconi Edoardo¹²³⁴,De Angelis Filippo¹²³⁴

Affiliation:

1. Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO)

2. CNR-ISTM

3. Perugia

4. Italy

Abstract

Ab initio molecular dynamics simulations of MAPbI₃ and FAPbI₃ perovskites demonstrate their structural flexibility and a cation-induced sub-ps localization of electronic states.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP00599J

Reference73 articles.

1. The Swift Surge of Perovskite Photovoltaics

2. Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

3. Fundamental absorption edge in PbI2:KI alloys

4. Organohalide lead perovskites for photovoltaic applications

5. 6.5% efficient perovskite quantum-dot-sensitized solar cell

Cited by 137 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Effects of Ligand Chemistry on Ion Transport in 2D Hybrid Organic–Inorganic Perovskites;Advanced Energy Materials;2024-07-24

2. Excitonic Properties versus Structure Stability Trade‐Off in Halide Perovskite Photovoltaics Caused by van der Waals Interactions;physica status solidi (b);2024-07-21

3. Large dynamic scissoring mode displacements coupled to band gap opening in the cubic phase of the methylammonium lead halide perovskites;Journal of Physics: Condensed Matter;2024-07-15

4. Cooperative Octahedral Tilt Modes Drive Coexisting Displacive and Order–Disorder Pressure-Induced Phase Transitions in MAPbBr₃;The Journal of Physical Chemistry C;2024-05-09

5. Ga and In-based hybrid halide perovskites as an alternative to Pb: a first principles study;Physical Chemistry Chemical Physics;2024