scholarly journals Unravelling the Effects of Grain Boundary and Chemical Doping on Electron–Hole Recombination in CH3NH3PbI3 Perovskite by Time-Domain Atomistic Simulation

2016 ◽  
Vol 138 (11) ◽  
pp. 3884-3890 ◽  
Author(s):  
Run Long ◽  
Jin Liu ◽  
Oleg V. Prezhdo
Keyword(s):  
Grain Boundary ◽  
Time Domain ◽  
Atomistic Simulation ◽  
Chemical Doping ◽  
Electron Hole ◽  
Hole Recombination

scholarly journals Structural rigidity accelerates quantum decoherence and extends carrier lifetime in porphyrin nanoballs: a time domain atomistic simulation

2020 ◽  
Vol 2 (4) ◽  
pp. 1502-1511
Author(s):  
Ritabrata Sarkar ◽  
Md Habib ◽  
Moumita Kar ◽  
Anup Pramanik ◽  
Sougata Pal ◽  
...  
Keyword(s):  
Time Domain ◽  
Atomistic Simulation ◽  
Quantum Coherence ◽  
Carrier Lifetime ◽  
Quantum Decoherence ◽  
Phonon Coupling ◽  
Electron Hole ◽  
Structural Rigidity ◽  
Electron Phonon Coupling ◽  
Hole Recombination

Structural rigidity assists to weaken the NA electron–phonon coupling, shorten the quantum coherence and thus suppress the dynamics of electron–hole recombination.

Unraveling the quantum dynamics origin of high photocatalytic activity in nitrogen-doped anatase TiO2: time-domain ab initio analysis

2020 ◽  
Vol 8 (47) ◽  
pp. 25235-25244
Author(s):  
Yating Yang ◽  
Zhaosheng Zhang ◽  
Wei-Hai Fang ◽  
Sebastian Fernandez-Alberti ◽  
Run Long
Keyword(s):  
Photocatalytic Activity ◽  
Ab Initio ◽  
Time Domain ◽  
Quantum Dynamics ◽  
High Photocatalytic Activity ◽  
Anatase Tio2 ◽  
Electron Hole ◽  
Nitrogen Doped ◽  
Hole Recombination

TiO2 doping with nitrogen greatly suppresses nonradiative electron-hole recombination and enhances photocatalytic activity.

Weak temperature-dependent hole injection and electron–hole recombination at the CH3NH3PbI3/NiO heterojunction: a time-domain ab initio study

2020 ◽  
Vol 8 (2) ◽  
pp. 607-615 ◽  
Author(s):  
Jinlu He ◽  
Wei-Hai Fang ◽  
Run Long
Keyword(s):  
Charge Carrier ◽  
Ab Initio ◽  
Time Domain ◽  
Carrier Dynamics ◽  
Hole Injection ◽  
Ab Initio Study ◽  
Temperature Dependent ◽  
Electron Hole ◽  
Charge Carrier Dynamics ◽  
Hole Recombination

Weak temperature-dependent photoexcitation charge carrier dynamics in the CH3NH3PbI3/NiO heterojunction.

Ferroelastic domains drive charge separation and suppress electron–hole recombination in all-inorganic halide perovskites: time-domain ab initio analysis

2020 ◽  
Vol 5 (4) ◽  
pp. 683-690 ◽  
Author(s):  
Ran Shi ◽  
Zhaosheng Zhang ◽  
Wei-hai Fang ◽  
Run Long
Keyword(s):  
Ab Initio ◽  
Time Domain ◽  
Charge Separation ◽  
Charge Recombination ◽  
Electron Hole ◽  
Nonadiabatic Coupling ◽  
Halide Perovskites ◽  
Ferroelastic Domains ◽  
Hole Recombination

CsPbBr3 perovskites containing ferroelastic domains inhibit non-radiative charge recombination by facilitating charge separation and decreasing nonadiabatic coupling.

Suppressing photoexcited electron–hole recombination in MoSe2/WSe2 lateral heterostructures via interface-coupled state engineering: a time-domain ab initio study

2020 ◽  
Vol 8 (39) ◽  
pp. 20621-20628
Author(s):  
Zhaobo Zhou ◽  
Yehui Zhang ◽  
Xiwen Zhang ◽  
Xianghong Niu ◽  
Guangfen Wu ◽  
...  
Keyword(s):  
Time Domain ◽  
Carrier Lifetime ◽  
Vital Role ◽  
Two Dimensional ◽  
Ab Initio Study ◽  
Electron Hole ◽  
Photoexcited Electron ◽  
Photoexcited Carrier ◽  
Hole Recombination ◽  
Lateral Heterostructure

Interface-coupled states play a vital role in photoexcited carrier lifetime of two-dimensional lateral heterostructure-based photovoltaic and photoelectric devices.

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