Superoxide/Peroxide Chemistry Extends Charge Carriers’ Lifetime but Undermines Chemical Stability of CH3NH3PbI3 Exposed to Oxygen: Time-Domain ab Initio Analysis

2019 ◽  
Vol 141 (14) ◽  
pp. 5798-5807 ◽  
Author(s):  
Jinlu He ◽  
Wei-Hai Fang ◽  
Run Long ◽  
Oleg V. Prezhdo
Keyword(s):  
Ab Initio ◽  
Chemical Stability ◽  
Time Domain ◽  
Charge Carriers

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

2007 ◽  
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Author(s):  
Svetlana V. Kilina ◽  
Colleen F. Craig ◽  
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Keyword(s):  
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Ab Initio ◽  
Time Domain ◽  
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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 ◽  
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Keyword(s):  
Ab Initio ◽  
Time Domain
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