Excited state and charge transfer dynamics in gas phase molecule of CH3NH3PbI3: first-principles study

2021 ◽  
Vol 27 (2) ◽  
Author(s):  
Nitika ◽  
Shiv Kumar Dixit ◽  
Haider Abbas
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Gas Phase ◽  
First Principles ◽  
First Principles Study ◽  
Charge Transfer Dynamics

scholarly journals First-principles study of the excited-state properties of coumarin-derived dyes in dye-sensitized solar cells

2011 ◽  
Vol 21 (30) ◽  
pp. 11101 ◽  
Author(s):  
Saurabh Agrawal ◽  
Pratibha Dev ◽  
Niall J. English ◽  
K. Ravindranathan Thampi ◽  
J. M. D. MacElroy
Keyword(s):  
Solar Cells ◽  
Excited State ◽  
First Principles ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
First Principles Study ◽  
Sensitized Solar Cells

Ultrafast excited state dynamics of fucoxanthin: excitation energy dependent intramolecular charge transfer dynamics

2011 ◽  
Vol 13 (22) ◽  
pp. 10762 ◽  
Author(s):  
Daisuke Kosumi ◽  
Toshiyuki Kusumoto ◽  
Ritsuko Fujii ◽  
Mitsuru Sugisaki ◽  
Yoshiro Iinuma ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Excitation Energy ◽  
Intramolecular Charge Transfer ◽  
Excited State Dynamics ◽  
Charge Transfer Dynamics ◽  
Energy Dependent

scholarly journals Nonlinear absorption properties and excited-state charge-transfer dynamics of Er doped ZnO films

2018 ◽  
Vol 8 (11) ◽  
pp. 3262 ◽  
Author(s):  
Si-Qiu Li ◽  
Cheng-Bao Yao ◽  
Yu Cai ◽  
Yue Han ◽  
Ke-Xin Zhang ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Nonlinear Absorption ◽  
Zno Films ◽  
Absorption Properties ◽  
Doped Zno ◽  
Charge Transfer Dynamics ◽  
Er Doped ◽  
State Charge

Improving the charge transfer performance of Si nanomaterial through C surface modification: A first-principles study

2019 ◽  
Vol 19 (7) ◽  
pp. 817-821 ◽  
Author(s):  
Yingying Yang ◽  
Xiaowan Xue ◽  
Yuan Qin ◽  
Hao Huang ◽  
Xudong Wang ◽  
...  
Keyword(s):  
Surface Modification ◽  
Charge Transfer ◽  
First Principles ◽  
Transfer Performance ◽  
First Principles Study

Ultrafast Pump−Probe Studies of Excited-State Charge-Transfer Dynamics in Blue Copper Proteins

1998 ◽  
Vol 102 (23) ◽  
pp. 4350-4359 ◽  
Author(s):  
Lewis D. Book ◽  
David C. Arnett ◽  
Hanbo Hu ◽  
Norbert F. Scherer
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Copper Proteins ◽  
Blue Copper Proteins ◽  
Pump Probe ◽  
Blue Copper ◽  
Charge Transfer Dynamics ◽  
State Charge

scholarly journals Substrate effects in the photoenhanced ozonation of pyrene

2011 ◽  
Vol 11 (3) ◽  
pp. 1243-1253 ◽  
Author(s):  
S. A. Styler ◽  
M.-E. Loiseaux ◽  
D. J. Donaldson
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Gas Phase ◽  
Ozone Concentration ◽  
Aqueous Interfaces ◽  
Substrate Effects ◽  
Environmental Surfaces ◽  
Laboratory Results ◽  
Reactive Surfaces ◽  
Kinetics Of

Abstract. We report the effects of actinic illumination on the heterogeneous ozonation kinetics of solid pyrene films and pyrene adsorbed at air-octanol and air-aqueous interfaces. Upon illumination, the ozonation of solid pyrene films and pyrene at the air-aqueous interface proceeds more quickly than in darkness; no such enhancement is observed for pyrene at the air-octanol interface. Under dark conditions, the reaction of pyrene at all three interfaces proceeds via a Langmuir-Hinshelwood-type surface mechanism. In the presence of light, Langmuir-Hinshelwood kinetics are observed for solid pyrene films but a linear dependence upon gas-phase ozone concentration is observed at the air-aqueous interface. We interpret these results as evidence of the importance of charge-transfer pathways for the ozonation of excited-state pyrene. The dramatically different behaviour of pyrene at the surface of these three simple reaction environments highlights the difficulties inherent in representing complex reactive surfaces in the laboratory, and suggests caution in extrapolating laboratory results to environmental surfaces.

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