Grain Boundary Facilitates Photocatalytic Reaction in Rutile TiO2 Despite Fast Charge Recombination: A Time-Domain ab Initio Analysis

2018 ◽  
Vol 9 (19) ◽  
pp. 5884-5889 ◽  
Author(s):  
Yaqing Wei ◽  
Zhaohui Zhou ◽  
Wei-Hai Fang ◽  
Run Long
Keyword(s):  
Grain Boundary ◽  
Ab Initio ◽  
Time Domain ◽  
Charge Recombination ◽  
Photocatalytic Reaction ◽  
Rutile Tio2 ◽  
Fast Charge

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.

Sulfur Adatom and Vacancy Accelerate Charge Recombination in MoS2 but by Different Mechanisms: Time-Domain Ab Initio Analysis

Nano Letters ◽  
2017 ◽  
Vol 17 (12) ◽  
pp. 7962-7967 ◽  
Author(s):  
Linqiu Li ◽  
Run Long ◽  
Thomas Bertolini ◽  
Oleg V. Prezhdo
Keyword(s):  
Ab Initio ◽  
Time Domain ◽  
Charge Recombination

scholarly journals Correction for Rapid Decoherence Suppresses Charge Recombination in Multilayer 2D Halide Perovskites: Time-Domain Ab Initio Analysis

Nano Letters ◽  
2018 ◽  
Vol 18 (5) ◽  
pp. 3312-3312 ◽  
Author(s):  
Zhaosheng Zhang ◽  
Wei-Hai Fang ◽  
Marina V. Tokina ◽  
Run Long ◽  
Oleg V. Prezhdo
Keyword(s):  
Ab Initio ◽  
Time Domain ◽  
Charge Recombination ◽  
Halide Perovskites

Rapid Decoherence Suppresses Charge Recombination in Multi-Layer 2D Halide Perovskites: Time-Domain Ab Initio Analysis

Nano Letters ◽  
2018 ◽  
Vol 18 (4) ◽  
pp. 2459-2466 ◽  
Author(s):  
Zhaosheng Zhang ◽  
Wei-Hai Fang ◽  
Marina V. Tokina ◽  
Run Long ◽  
Oleg V. Prezhdo
Keyword(s):  
Ab Initio ◽  
Time Domain ◽  
Charge Recombination ◽  
Halide Perovskites
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