Influence of Defects on Excited-State Dynamics in Lead Halide Perovskites: Time-Domain ab Initio Studies

Wei Li; Run Long; Jianfeng Tang; Oleg V. Prezhdo

doi:10.1021/acs.jpclett.9b00641

Influence of Defects on Excited-State Dynamics in Lead Halide Perovskites: Time-Domain ab Initio Studies

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.9b00641 ◽

2019 ◽

Vol 10 (13) ◽

pp. 3788-3804 ◽

Cited By ~ 26

Author(s):

Wei Li ◽

Run Long ◽

Jianfeng Tang ◽

Oleg V. Prezhdo

Keyword(s):

Excited State ◽

Ab Initio ◽

Time Domain ◽

Excited State Dynamics ◽

Halide Perovskites ◽

Lead Halide

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Time-Domain Modeling of Excited State Dynamics in Halide Perovskites

10.29363/nanoge.hopv.2019.014 ◽

2019 ◽

Author(s):

Oleg Prezhdo

Keyword(s):

Excited State ◽

Time Domain ◽

Domain Modeling ◽

Excited State Dynamics ◽

Time Domain Modeling ◽

Halide Perovskites

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Photoinduced Localized Hole Delays Nonradiative Electron–Hole Recombination in Cesium–Lead Halide Perovskites: A Time-Domain Ab Initio Analysis

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.8b01266 ◽

2018 ◽

Vol 9 (11) ◽

pp. 3021-3028 ◽

Cited By ~ 15

Author(s):

Jinlu He ◽

Meng Guo ◽

Run Long

Keyword(s):

Ab Initio ◽

Time Domain ◽

Electron Hole ◽

Halide Perovskites ◽

Lead Halide ◽

Hole Recombination

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Time-Domain ab Initio Studies of Excited State Dynamics at Nanoscale Interfaces

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.ch005 ◽

2019 ◽

pp. 101-136

Author(s):

Brendan Barrow ◽

Dhara J. Trivedi

Keyword(s):

Excited State ◽

Ab Initio ◽

Time Domain ◽

Excited State Dynamics ◽

Nanoscale Interfaces

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Modulation of Excited State Dynamics in Lead Halide Perovskite Films with Electrical Bias

10.29363/nanoge.hopv.2019.189 ◽

2019 ◽

Author(s):

Gergely Samu ◽

R.A. Scheidt ◽

A. Balog ◽

C. Janáky ◽

P.V. Kamat

Keyword(s):

Excited State ◽

Excited State Dynamics ◽

Halide Perovskite ◽

Electrical Bias ◽

Lead Halide

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Femtosecond spectroscopy of ultrafast nonadiabatic excited-state dynamics on the basis of ab initio potential-energy surfaces: the S2 state of pyrazine

The Journal of Physical Chemistry ◽

10.1021/j100150a004 ◽

1993 ◽

Vol 97 (48) ◽

pp. 12466-12472 ◽

Cited By ~ 33

Author(s):

Gerhard Stock ◽

Wolfgang Domcke

Keyword(s):

Excited State ◽

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Femtosecond Spectroscopy ◽

Excited State Dynamics ◽

S2 State ◽

Energy Surfaces

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Ab initio modeling of band gaps of cesium lead halide perovskites depending on the dopant amount

Journal of Physics Conference Series ◽

10.1088/1742-6596/1096/1/012115 ◽

2018 ◽

Vol 1096 ◽

pp. 012115 ◽

Cited By ~ 1

Author(s):

V A Saleev ◽

A V Shipilova

Keyword(s):

Ab Initio ◽

Band Gaps ◽

Ab Initio Modeling ◽

Halide Perovskites ◽

Lead Halide

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Nonadiabatic Excited-State Dynamics with Hybrid ab Initio Quantum-Mechanical/Molecular-Mechanical Methods: Solvation of the Pentadieniminium Cation in Apolar Media

The Journal of Physical Chemistry A ◽

10.1021/jp103101t ◽

2010 ◽

Vol 114 (25) ◽

pp. 6757-6765 ◽

Cited By ~ 56

Author(s):

Matthias Ruckenbauer ◽

Mario Barbatti ◽

Thomas Müller ◽

Hans Lischka

Keyword(s):

Excited State ◽

Ab Initio ◽

Quantum Mechanical ◽

Excited State Dynamics ◽

Mechanical Methods

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Excited state dynamics of Photoactive Yellow Protein chromophores elucidated by high-resolution spectroscopy and ab initio calculations

Faraday Discussions ◽

10.1039/c2fd20139a ◽

2013 ◽

Vol 163 ◽

pp. 321 ◽

Cited By ~ 27

Author(s):

Eric M. M. Tan ◽

Saeed Amirjalayer ◽

Bert H. Bakker ◽

Wybren J. Buma

Keyword(s):

Excited State ◽

High Resolution ◽

Ab Initio Calculations ◽

Ab Initio ◽

High Resolution Spectroscopy ◽

Photoactive Yellow Protein ◽

Excited State Dynamics

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Ground state structures and excited state dynamics of pyrrole-water complexes: Ab initio excited state molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.2822276 ◽

2008 ◽

Vol 128 (3) ◽

pp. 034304 ◽

Cited By ~ 18

Author(s):

Anupriya Kumar ◽

Maciej Kołaski ◽

Kwang S. Kim

Keyword(s):

Molecular Dynamics ◽

Excited State ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ground State ◽

Excited State Dynamics ◽

Ground State Structures ◽

Dynamics Simulations

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Time-Domain ab Initio Analysis Rationalizes the Unusual Temperature Dependence of Charge Carrier Relaxation in Lead Halide Perovskite

ACS Energy Letters ◽

10.1021/acsenergylett.8b01608 ◽

2018 ◽

Vol 3 (11) ◽

pp. 2713-2720 ◽

Cited By ~ 29

Author(s):

Wei Li ◽

Jianfeng Tang ◽

David Casanova ◽

Oleg V. Prezhdo

Keyword(s):

Charge Carrier ◽

Ab Initio ◽

Temperature Dependence ◽

Time Domain ◽

Carrier Relaxation ◽

Halide Perovskite ◽

Lead Halide

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