Calculation from First-Principles of Golden Rule Rate Constants for Photoinduced Subphthalocyanine/Fullerene Interfacial Charge Transfer and Recombination in Organic Photovoltaic Cells

Myeong H. Lee; Eitan Geva; Barry D. Dunietz

doi:10.1021/jp501199u

Calculation from First-Principles of Golden Rule Rate Constants for Photoinduced Subphthalocyanine/Fullerene Interfacial Charge Transfer and Recombination in Organic Photovoltaic Cells

The Journal of Physical Chemistry C ◽

10.1021/jp501199u ◽

2014 ◽

Vol 118 (18) ◽

pp. 9780-9789 ◽

Cited By ~ 47

Author(s):

Myeong H. Lee ◽

Eitan Geva ◽

Barry D. Dunietz

Keyword(s):

Charge Transfer ◽

Rate Constants ◽

First Principles ◽

Photovoltaic Cells ◽

Golden Rule ◽

Organic Photovoltaic ◽

Organic Photovoltaic Cells ◽

Interfacial Charge Transfer ◽

Interfacial Charge

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Rationalizing the control of interfacial charge transfer directions in halide perovskite materials via additives: A first principles investigation

Applied Surface Science ◽

10.1016/j.apsusc.2019.03.149 ◽

2019 ◽

Vol 481 ◽

pp. 1178-1184 ◽

Cited By ~ 6

Author(s):

Fengxi Yu ◽

Lei Zhang ◽

Fan Jiang

Keyword(s):

Charge Transfer ◽

First Principles ◽

Interfacial Charge Transfer ◽

Perovskite Materials ◽

Halide Perovskite ◽

Interfacial Charge

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Interfacial charge transfer and mechanisms of enhanced photocatalysis of an anatase TiO2(0 0 1)-MoS2-graphene nanocomposite: A first-principles investigation

Computational Materials Science ◽

10.1016/j.commatsci.2016.09.014 ◽

2017 ◽

Vol 126 ◽

pp. 43-51 ◽

Cited By ~ 14

Author(s):

Xingye Zeng ◽

Xinyan Xiao ◽

Weiping Zhang ◽

Caixia Wan ◽

Hanlu Wang

Keyword(s):

Charge Transfer ◽

First Principles ◽

Anatase Tio2 ◽

Interfacial Charge Transfer ◽

Graphene Nanocomposite ◽

Interfacial Charge

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Charge transfer highways in polymer solar cells embedded with imprinted PEDOT:PSS gratings

RSC Advances ◽

10.1039/c4ra10268a ◽

2014 ◽

Vol 4 (102) ◽

pp. 58342-58348 ◽

Cited By ~ 5

Author(s):

Chia-Te Yen ◽

Fu-Chiao Wu ◽

Horng-Long Cheng ◽

Hwo-Shuenn Sheu ◽

Fu-Ching Tang ◽

...

Keyword(s):

Solar Cells ◽

Charge Transfer ◽

Carrier Transport ◽

Polymer Solar Cells ◽

Photovoltaic Cells ◽

Organic Photovoltaic ◽

Organic Photovoltaic Cells

Carrier transport highways induced by nanoimprinted PEDOT:PSS gratings play important roles in the enhancement of the electrical performances of P3HT:ICBA-based organic photovoltaic cells.

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Theoretical and Experimental Upper Bounds on Interfacial Charge-Transfer Rate Constants between Semiconducting Solids and Outer-Sphere Redox Couples

The Journal of Physical Chemistry ◽

10.1021/jp951779f ◽

1996 ◽

Vol 100 (9) ◽

pp. 3652-3664 ◽

Cited By ~ 34

Author(s):

Katherine E. Pomykal ◽

Arnel M. Fajardo ◽

Nathan S. Lewis

Keyword(s):

Charge Transfer ◽

Rate Constants ◽

Transfer Rate ◽

Outer Sphere ◽

Upper Bounds ◽

Interfacial Charge Transfer ◽

Redox Couples ◽

Charge Transfer Rate ◽

Interfacial Charge

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Comparison of the Self-Exchange and Interfacial Charge-Transfer Rate Constants for Methyl- versustert-Butyl-Substituted Os(III) Polypyridyl Complexes†

The Journal of Physical Chemistry B ◽

10.1021/jp0649697 ◽

2006 ◽

Vol 110 (50) ◽

pp. 25514-25520 ◽

Cited By ~ 14

Author(s):

Thomas W. Hamann ◽

Bruce S. Brunschwig ◽

Nathan S. Lewis

Keyword(s):

Charge Transfer ◽

Rate Constants ◽

Transfer Rate ◽

The Self ◽

Polypyridyl Complexes ◽

Interfacial Charge Transfer ◽

Charge Transfer Rate ◽

Interfacial Charge

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Tuning the Hybridization of Local Exciton and Charge‐Transfer States in Highly Efficient Organic Photovoltaic Cells

Angewandte Chemie International Edition ◽

10.1002/anie.201915030 ◽

2020 ◽

Vol 59 (23) ◽

pp. 9004-9010 ◽

Cited By ~ 12

Author(s):

Ye Xu ◽

Huifeng Yao ◽

Lijiao Ma ◽

Ling Hong ◽

Jiayao Li ◽

...

Keyword(s):

Charge Transfer ◽

Photovoltaic Cells ◽

Organic Photovoltaic ◽

Organic Photovoltaic Cells ◽

Highly Efficient

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Examining the Effect of Exchange-Correlation Approximations in First-Principles Dynamics Simulation of Interfacial Charge Transfer

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b00183 ◽

2017 ◽

Vol 13 (6) ◽

pp. 2634-2641 ◽

Cited By ~ 9

Author(s):

Lesheng Li ◽

Jian Cheng Wong ◽

Yosuke Kanai

Keyword(s):

Charge Transfer ◽

First Principles ◽

Dynamics Simulation ◽

Interfacial Charge Transfer ◽

Exchange Correlation ◽

Interfacial Charge

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Probing Charge Transfer in Organic Photovoltaic Cells by Directly Exciting Single Electron

Asian Journal of Chemistry ◽

10.14233/ajchem.2013.15773a ◽

2013 ◽

Vol 25 (14) ◽

pp. 8205-8209 ◽

Cited By ~ 1

Author(s):

Hui Cao ◽

Chaozhi Zhang ◽

Mingxia Song

Keyword(s):

Charge Transfer ◽

Photovoltaic Cells ◽

Single Electron ◽

Organic Photovoltaic ◽

Organic Photovoltaic Cells

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Correlation between the Open-Circuit Voltage and Charge Transfer State Energy in Organic Photovoltaic Cells

ACS Applied Materials & Interfaces ◽

10.1021/acsami.5b03656 ◽

2015 ◽

Vol 7 (33) ◽

pp. 18306-18311 ◽

Cited By ~ 16

Author(s):

Yunlong Zou ◽

Russell J. Holmes

Keyword(s):

Charge Transfer ◽

State Energy ◽

Open Circuit Voltage ◽

Photovoltaic Cells ◽

Open Circuit ◽

Charge Transfer State ◽

Organic Photovoltaic ◽

Organic Photovoltaic Cells ◽

Transfer State

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Molecular-Level Exploration of the Structure-Function Relations Underlying Interfacial Charge Transfer in the Subphthalocyanine/ C60 Organic Photovoltaic System

Physical Review Applied ◽

10.1103/physrevapplied.13.054075 ◽

2020 ◽

Vol 13 (5) ◽

Cited By ~ 4

Author(s):

Jacob Tinnin ◽

Srijana Bhandari ◽

Pengzhi Zhang ◽

Huseyin Aksu ◽

Buddhadev Maiti ◽

...

Keyword(s):

Charge Transfer ◽

Structure Function ◽

Molecular Level ◽

Photovoltaic System ◽

Organic Photovoltaic ◽

Interfacial Charge Transfer ◽

Interfacial Charge

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