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Journal Articles

Molecular engineering charge transfer and triplet exciton formation in donor–acceptor cocrystals

Malik L. Williams, Jonathan R. Palmer, Samuel B. Tyndall, Yizhe Chen, Ryan M. Young, Antonio J. Garzon-Ramirez, Roel Tempelaar, Michael R. Wasielewski

J. Chem. Phys. 162, 024505 (2025)

https://doi.org/10.1063/5.0243900

Published: January 2025

View article titled, Molecular engineering charge transfer and triplet exciton formation in donor–acceptor cocrystals

Journal Articles

Transient charge carrier dynamics in organic solar cell devices studied by simultaneous optical and electric detection

Tomoaki Miura, Naoya Muramatsu, Tomoaki Takeuchi, Kazuhiko Seki, Tadaaki Ikoma

J. Chem. Phys. 161, 241101 (2024)

https://doi.org/10.1063/5.0245921

Published: December 2024

View article titled, Transient charge carrier dynamics in organic solar cell devices studied by simultaneous optical and electric detection

Journal Articles

Hiding in plain sight: The prevalence and impact of trions and Fermi polarons in transient absorption spectroscopy experiments of 2D semiconductors

Rachelle Austin, Tom Sayer, Yusef Farah, Andrés Montoya-Castillo, Amber T. Krummel, Justin B. Sambur

J. Chem. Phys. 161, 190901 (2024)

https://doi.org/10.1063/5.0221956

Published: November 2024

View article titled, Hiding in plain sight: The prevalence and impact of trions and Fermi polarons in transient absorption spectroscopy experiments of 2D semiconductors

Journal Articles

Molecular models of PM6 for non-fullerene acceptor organic solar cells: How DAD and ADA structures impact charge separation and charge recombination

Puttipong Pananusorn, Hikaru Sotome, Hiroki Uratani, Fumitaka Ishiwari, Khamphee Phomphrai, Akinori Saeki

J. Chem. Phys. 161, 184710 (2024)

https://doi.org/10.1063/5.0227785

Published: November 2024

View article titled, Molecular models of PM6 for non-fullerene acceptor organic solar cells: How DAD and ADA structures impact charge separation and charge recombination

Journal Articles

Molecular donor–acceptor linked systems as models for examining their interactions in excited states

Hiroshi Imahori, Midori Akiyama

J. Chem. Phys. 161, 080901 (2024)

https://doi.org/10.1063/5.0222310

Published: August 2024

View article titled, Molecular donor–acceptor linked systems as models for examining their interactions in excited states

Journal Articles

Decoherence ensures convergence of non-adiabatic molecular dynamics with number of states

Dongyu Liu, Bipeng Wang, Andrey S. Vasenko, Oleg V. Prezhdo

J. Chem. Phys. 161, 064104 (2024)

https://doi.org/10.1063/5.0222557

Published: August 2024

View article titled, Decoherence ensures convergence of non-adiabatic molecular dynamics with number of states

Journal Articles

Competition among recombination pathways in single FAPbBr₃ nanocrystals

Prajit Kumar Singha, Tamoghna Mukhopadhyay, Ejaj Tarif, Fariyad Ali, Anindya Datta

J. Chem. Phys. 161, 054704 (2024)

https://doi.org/10.1063/5.0205940

Published: August 2024

View article titled, Competition among recombination pathways in single FAPbBr3 nanocrystals

Journal Articles

A closer look at the effects of oxygen on the photoluminescence properties of CdSe/CdS quantum dots

Roman Kusterer, Sonja Krohn, Moritz Wehrmeister, Christian Strelow, Tobias Kipp, Alf Mews

J. Chem. Phys. 161, 024706 (2024)

https://doi.org/10.1063/5.0212160

Published: July 2024

View article titled, A closer look at the effects of oxygen on the photoluminescence properties of CdSe/CdS quantum dots

Journal Articles

Novel S–N/WO₃: Optimization of photocatalytic performance of WO₃ by simultaneous existence of S and N in WO₃ against MB dye

Ayesha Younas, Rana Mustansar Munir, Hassan Imam Rizvi, Tahir Iqbal, Sumera Afsheen, K. N. Riaz, Asad Syed, Abdallah M. Elgorban, Ling Shing Wong

J. Chem. Phys. 160, 244201 (2024)

https://doi.org/10.1063/5.0213551

Published: June 2024

View article titled, Novel S–N/WO3: Optimization of photocatalytic performance of WO3 by simultaneous existence of S and N in WO3 against MB dye

Journal Articles

Dynamics of reduced perylene bisimide cyclophane redox species by ultrafast spectroelectrochemistry

Rebecca Fröhlich, Jessica Rühe, Michael Moos, Laura Kontschak, Patrik Ehrmann, Frank Würthner, Christoph Lambert, Tobias Brixner

J. Chem. Phys. 160, 234201 (2024)

https://doi.org/10.1063/5.0210490

Published: June 2024

View article titled, Dynamics of reduced perylene bisimide cyclophane redox species by ultrafast spectroelectrochemistry

Journal Articles

Interface-modulated kinetic differentials in electron and hole transfer rates as a key design principle for redox photocatalysis by Sb₂VO₅/QD heterostructures

Jaime R. Ayala, Karoline E. García-Pedraza, Alice R. Giem, Udani Wijethunga, Shruti Hariyani, Luis Carrillo, Cherno Jaye, Conan Weiland, Daniel A. Fischer, David F. Watson, Sarbajit Banerjee

J. Chem. Phys. 160, 194703 (2024)

https://doi.org/10.1063/5.0201550

Published: May 2024

View article titled, Interface-modulated kinetic differentials in electron and hole transfer rates as a key design principle for redox photocatalysis by Sb2VO5/QD heterostructures

Includes: Supplementary data

Journal Articles

Simulation of interlayer coupling for electroactive covalent organic framework design

Tanner M. Leo, Megan Robbins, Alana Sullivan, Henry Thornes, Garrett Fitzsimmons, Alyssa Goodey, Tim Kowalczyk

J. Chem. Phys. 160, 184704 (2024)

https://doi.org/10.1063/5.0206246

Published: May 2024

View article titled, Simulation of interlayer coupling for electroactive covalent organic framework design

Includes: Supplementary data

Journal Articles

Photoluminescence study of anatase TiO₂ photocatalysts at the pico- and nanosecond timescales

Ryuzi Katoh, Kazuhiko Seki

J. Chem. Phys. 160, 174704 (2024)

https://doi.org/10.1063/5.0203925

Published: May 2024

View article titled, Photoluminescence study of anatase TiO2 photocatalysts at the pico- and nanosecond timescales

Includes: Supplementary data

Journal Articles

Symmetry-breaking charge separation in a null-excitonic 3-dimensional rigid nonconjugated trimer

Kangwei Wang, Xingyu Chen, Shaoqian Peng, Guijie Liang, Jingwen Xu, Lei Zhang, Di Wu, Jianlong Xia

J. Chem. Phys. 160, 164719 (2024)

https://doi.org/10.1063/5.0195384

Published: April 2024

View article titled, Symmetry-breaking charge separation in a null-excitonic 3-dimensional rigid nonconjugated trimer

Includes: Supplementary data

Journal Articles

Photogenerated carrier dynamics of Mn²⁺ doped CsPbBr₃ assembled with TiO₂ systems: Effect of Mn doping content

Luchao Du, Jie An, Tetsuro Katayama, Menghan Duan, XiaoPing Shi, Yunpeng Wang, Akihiro Furube

J. Chem. Phys. 160, 164713 (2024)

https://doi.org/10.1063/5.0197068

Published: April 2024

View article titled, Photogenerated carrier dynamics of Mn2+ doped CsPbBr3 assembled with TiO2 systems: Effect of Mn doping content

Journal Articles

Hot carrier relaxation dynamics of an aza-covalent organic framework during photoexcitation: An insight from ab initio quantum dynamics

Atish Ghosh, Priya Das, Subhash Kumar, Pranab Sarkar

J. Chem. Phys. 160, 164707 (2024)

https://doi.org/10.1063/5.0200834

Published: April 2024

View article titled, Hot carrier relaxation dynamics of an aza-covalent organic framework during photoexcitation: An insight from ab initio quantum dynamics

Includes: Supplementary data

Journal Articles

Impact of large A-site cations on electron–vibrational interactions in 2D halide perovskites: Ab initio quantum dynamics

Dandan Dai, Sraddha Agrawal, Oleg V. Prezhdo, Run Long

J. Chem. Phys. 160, 114704 (2024)

https://doi.org/10.1063/5.0202251

Published: March 2024

View article titled, Impact of large A-site cations on electron–vibrational interactions in 2D halide perovskites: Ab initio quantum dynamics

Journal Articles

Unraveling the rapid ion migration in perovskite solar cells by circuit-switched transient photoelectric technique

Ziyou Wu, Shuai Yuan, Shaoshuai Miao, Yiyi Li, Wenqi Zhang, Dandan Cao, Junyu Nie, Yi Wang, Xi-Cheng Ai, Jian-Ping Zhang

J. Chem. Phys. 160, 111101 (2024)

https://doi.org/10.1063/5.0198438

Published: March 2024

View article titled, Unraveling the rapid ion migration in perovskite solar cells by circuit-switched transient photoelectric technique

Includes: Supplementary data

Journal Articles

Charge photogeneration dynamics in non-fullerene polymer solar cells with fluorinated and non-fluorinated acceptors

Zekai Cai, Rong Hu, Zijie Xiao, Junyi Feng, Xianshao Zou, Guanzhao Wen, Geng Dong, Wei Zhang

J. Chem. Phys. 160, 074702 (2024)

https://doi.org/10.1063/5.0177876

Published: February 2024

View article titled, Charge photogeneration dynamics in non-fullerene polymer solar cells with fluorinated and non-fluorinated acceptors

Includes: Supplementary data

Journal Articles

The warming-up effects of quantum-dot light emitting diodes: A reversible stability issue related to shell traps

Menglin Li, Xin Zhang, Hui Bao, Yiran Yan, Xian-gang Wu, Cheng Wang, Yongqi Cao, Min Yang, Cuili Chen, Xiangmin Hu, Wenjun Hou, Weiran Cao, Haizheng Zhong

J. Chem. Phys. 160, 044704 (2024)

https://doi.org/10.1063/5.0185626

Published: January 2024

View article titled, The warming-up effects of quantum-dot light emitting diodes: A reversible stability issue related to shell traps

Includes: Supplementary data

NARROW

Topics

Molecular engineering charge transfer and triplet exciton formation in donor–acceptor cocrystals

Transient charge carrier dynamics in organic solar cell devices studied by simultaneous optical and electric detection

Hiding in plain sight: The prevalence and impact of trions and Fermi polarons in transient absorption spectroscopy experiments of 2D semiconductors

Molecular models of PM6 for non-fullerene acceptor organic solar cells: How DAD and ADA structures impact charge separation and charge recombination

Molecular donor–acceptor linked systems as models for examining their interactions in excited states

Decoherence ensures convergence of non-adiabatic molecular dynamics with number of states

Competition among recombination pathways in single FAPbBr₃ nanocrystals

A closer look at the effects of oxygen on the photoluminescence properties of CdSe/CdS quantum dots

Novel S–N/WO₃: Optimization of photocatalytic performance of WO₃ by simultaneous existence of S and N in WO₃ against MB dye

Dynamics of reduced perylene bisimide cyclophane redox species by ultrafast spectroelectrochemistry

Interface-modulated kinetic differentials in electron and hole transfer rates as a key design principle for redox photocatalysis by Sb₂VO₅/QD heterostructures

Simulation of interlayer coupling for electroactive covalent organic framework design

Photoluminescence study of anatase TiO₂ photocatalysts at the pico- and nanosecond timescales

Symmetry-breaking charge separation in a null-excitonic 3-dimensional rigid nonconjugated trimer

Photogenerated carrier dynamics of Mn²⁺ doped CsPbBr₃ assembled with TiO₂ systems: Effect of Mn doping content

Hot carrier relaxation dynamics of an aza-covalent organic framework during photoexcitation: An insight from ab initio quantum dynamics

Impact of large A-site cations on electron–vibrational interactions in 2D halide perovskites: Ab initio quantum dynamics

Unraveling the rapid ion migration in perovskite solar cells by circuit-switched transient photoelectric technique

Charge photogeneration dynamics in non-fullerene polymer solar cells with fluorinated and non-fluorinated acceptors

The warming-up effects of quantum-dot light emitting diodes: A reversible stability issue related to shell traps

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