DOI: 10.1039/c5cp00599j. Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics

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

10.1039/c5cp00599j

Crossref journal-article

Royal Society of Chemistry (RSC)

Physical Chemistry Chemical Physics (292)

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.

Bibliography

Quarti, C., Mosconi, E., & De Angelis, F. (2015). Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics. Physical Chemistry Chemical Physics, 17(14), 9394â9409.

Authors 3

Claudio Quarti (first)
Edoardo Mosconi (additional)
Filippo De Angelis (additional)

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Dates

Type	When
Created	10 years, 5 months ago (March 5, 2015, 8:02 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 1:24 p.m.)
Indexed	4 days, 18 hours ago (Aug. 23, 2025, 9:38 p.m.)
Issued	10 years, 7 months ago (Jan. 1, 2015)
Published	10 years, 7 months ago (Jan. 1, 2015)
Published Online	10 years, 7 months ago (Jan. 1, 2015)

Funders 0

None

BibTeX

@article{Quarti_2015, title={Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics}, volume={17}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/c5cp00599j}, DOI={10.1039/c5cp00599j}, number={14}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Quarti, Claudio and Mosconi, Edoardo and De Angelis, Filippo}, year={2015}, pages={9394–9409} }

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