scholarly journals Pb dimerization greatly accelerates charge losses in MAPbI3: Time-domain ab initio analysis

2020 ◽  
Vol 152 (6) ◽  
pp. 064707 ◽  
Author(s):  
Zhaosheng Zhang ◽  
Lu Qiao ◽  
Carlos Mora-Perez ◽  
Run Long ◽  
Oleg V. Prezhdo
Keyword(s):  
Ab Initio ◽  
Time Domain

Time-Domain Ab Initio Modeling of Charge and Exciton Dynamics in Nanomaterials

2015 ◽  
pp. 353-392
Author(s):  
Linjun Wang ◽  
Run Long ◽  
Dhara Trivedi ◽  
Oleg V. Prezhdo
Keyword(s):  
Ab Initio ◽  
Time Domain ◽  
Exciton Dynamics ◽  
Ab Initio Modeling

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.

Ab Initio Time-Domain Study of Phonon-Assisted Relaxation of Charge Carriers in a PbSe Quantum Dot

2007 ◽  
Vol 111 (12) ◽  
pp. 4871-4878 ◽  
Author(s):  
Svetlana V. Kilina ◽  
Colleen F. Craig ◽  
Dmitri S. Kilin ◽  
Oleg V. Prezhdo
Keyword(s):  
Quantum Dot ◽  
Ab Initio ◽  
Time Domain ◽  
Charge Carriers
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