Covalent Functionalized Black Phosphorus Greatly Inhibits Nonradiative Charge Recombination: A Time Domain Ab Initio Study

2019 ◽  
Vol 11 (2) ◽  
pp. 478-484 ◽  
Author(s):  
Yaqing Wei ◽  
Wei-Hai Fang ◽  
Run Long
Keyword(s):  
Ab Initio ◽  
Time Domain ◽  
Charge Recombination ◽  
Black Phosphorus ◽  
Ab Initio Study

Time-Domain Ab Initio Study of Phonon-Induced Relaxation of Plasmon Excitations in a Silver Quantum Dot

2012 ◽  
Vol 116 (28) ◽  
pp. 15034-15040 ◽  
Author(s):  
Amanda J. Neukirch ◽  
Zhenyu Guo ◽  
Oleg V. Prezhdo
Keyword(s):  
Quantum Dot ◽  
Ab Initio ◽  
Time Domain ◽  
Ab Initio Study

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.

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