Cation Effect on Hot Carrier Cooling in Halide Perovskite Materials

Research output: Contribution to journalArticle

33 Citations (Scopus)

Abstract

Organic-inorganic lead-halide perovskites have received a revival of interest in the past few years as a promising class of materials for photovoltaic applications. Despite recent extensive research, the role of cations in defining the high photovoltaic performance of these materials is not fully understood. Here, we conduct nonadiabatic molecular dynamics simulations to study and compare nonradiative hot carrier relaxation in three lead-halide perovskite materials: CH3NH3PbI3, HC(NH2)2PbI3, and CsPbI3. It is found that the relaxation of hot carriers to the band edges occurs on the ultrafast time scale and displays a strong quantitative dependence on the nature of the cations. The obtained results are explained in terms of electron-phonon couplings, which are strongly affected by the atomic displacements in the Pb-I framework triggered by the cation dynamics.

Original languageEnglish
Pages (from-to)4439-4445
Number of pages7
JournalJournal of Physical Chemistry Letters
Volume8
Issue number18
DOIs
Publication statusPublished - 21 Sep 2017

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Hot carriers
Perovskite
Cations
Positive ions
Cooling
Lead
Phonons
Molecular Dynamics Simulation
Molecular dynamics
Electrons
Computer simulation
Research
perovskite

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Cation Effect on Hot Carrier Cooling in Halide Perovskite Materials. / Madjet, Mohamed; Berdiyorov, Golibjon; El-Mellouhi, Fadwa; Alharbi, Fahhad; Akimov, Alexey V.; Kais, Sabre.

In: Journal of Physical Chemistry Letters, Vol. 8, No. 18, 21.09.2017, p. 4439-4445.

Research output: Contribution to journalArticle

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AU - Akimov, Alexey V.

AU - Kais, Sabre

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