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Journal Articles

Low-energy dissociative recombination of OH⁺

J. Forer, D. Hvizdoš, C. H. Greene, V. Kokoouline

J. Chem. Phys. 162, 174115 (2025)

https://doi.org/10.1063/5.0261887

Published: May 2025

View articletitled, Low-energy dissociative recombination of OH+

Journal Articles

Quantum calculation of the quasi-equilibrium constant involved in the formation of ⁴⁹O₃

G. Guillon, P. Honvault

J. Chem. Phys. 162, 144307 (2025)

https://doi.org/10.1063/5.0252876

Published: April 2025

View articletitled, Quantum calculation of the quasi-equilibrium constant involved in the formation of 49O3

Journal Articles

Theoretical study of the excited states of NeH and of their non-adiabiatic couplings: A preliminary for the modeling of the dissociative recombination of NeH⁺

R. Hassaine, D. Talbi, R. P. Brady, J. Zs. Mezei, J. Tennyson, I. F. Schneider

J. Chem. Phys. 162, 134302 (2025)

https://doi.org/10.1063/5.0261152

Published: April 2025

View articletitled, Theoretical study of the excited states of NeH and of their non-adiabiatic couplings: A preliminary for the modeling of the dissociative recombination of NeH+

Journal Articles

How accurate are lattice models with Gaussian energy disorder in describing charge-carrier transport and reactions in amorphous organic semiconductors?

Mariusz Wojcik, Irmina Zawieja-Bartosinska

J. Chem. Phys. 162, 114701 (2025)

https://doi.org/10.1063/5.0251896

Published: March 2025

View articletitled, How accurate are lattice models with Gaussian energy disorder in describing charge-carrier transport and reactions in amorphous organic semiconductors?

Journal Articles

Analysis of macroscopic cracks in triple cation perovskite films fabricated by the anisole antisolvent method

Zihong Cai, Yafei Wang, Zuchong Zhao, Jiacai Liao, Kai Ma, Junyu Lin, Zecheng Diao, Si Ling, Yuanhang Ren, Weiwei Xing, Gongbin Tang, Ji Ran, Zhongwei Liang, Jianhui Zhang, Tao Zou, Fan Zhang, Meicong Wang

J. Chem. Phys. 162, 114704 (2025)

https://doi.org/10.1063/5.0254854

Published: March 2025

View articletitled, Analysis of macroscopic cracks in triple cation perovskite films fabricated by the anisole antisolvent method

Journal Articles

Dye–quencher pair screening for efficient photo-CIDNP: The role of molecular diffusion

Toshiteru Tada, Takuya Shimajiri, Koki Nishimura, Naoto Matsumoto, Nobuhiro Yanai

J. Chem. Phys. 162, 104302 (2025)

https://doi.org/10.1063/5.0253296

Published: March 2025

View articletitled, Dye–quencher pair screening for efficient photo-CIDNP: The role of molecular diffusion

Journal Articles

Charge photogeneration dynamics in random terpolymer donor-based non-fullerene polymer solar cells

Jianbin Zhong, Rong Hu, Zheng Zou, Xiaojun Su, Xianshao Zou, Wei Zhang

J. Chem. Phys. 162, 094705 (2025)

https://doi.org/10.1063/5.0249213

Published: March 2025

View articletitled, Charge photogeneration dynamics in random terpolymer donor-based non-fullerene polymer solar cells

Journal Articles

Bridge connectivity effects on photoinduced ground-state electron spin polarization

David A. Shultz, Anil Reddy Marri, Andre M. Nogueira, Vivek K. Mishra, Martin L. Kirk, Art van der Est

J. Chem. Phys. 162, 084304 (2025)

https://doi.org/10.1063/5.0246344

Published: February 2025

View articletitled, Bridge connectivity effects on photoinduced ground-state electron spin polarization

Journal Articles

Comparative study on charge photogeneration dynamics of Y small molecule and polymerized Y small molecule based polymer solar cells

Junyi Feng, Guanzhao Wen, Rong Hu, Wenping Yin, Xianshao Zou, Xiaojun Su, Jianbin Zhong, Geng Dong, Wei Zhang

J. Chem. Phys. 162, 054710 (2025)

https://doi.org/10.1063/5.0242576

Published: February 2025

View articletitled, Comparative study on charge photogeneration dynamics of Y small molecule and polymerized Y small molecule based polymer solar cells

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

Journal Articles

Low temperature dynamics of H + HeH + → H 2 + + He reaction: On the importance of long-range interaction

Jayakrushna Sahoo, Duncan Bossion, Tomás González-Lezana, Dahbia Talbi, Yohann Scribano

J. Chem. Phys. 161, 144312 (2024)

https://doi.org/10.1063/5.0233558

Published: October 2024

View articletitled, Low temperature dynamics of H + HeH + → H 2 + + He reaction: On the importance of long-range interaction

Journal Articles

Statistical adiabatic channel model for termolecular reactions

J. Pérez-Ríos

J. Chem. Phys. 161, 144305 (2024)

https://doi.org/10.1063/5.0230336

Published: October 2024

View articletitled, Statistical adiabatic channel model for termolecular reactions

Journal Articles

Sulfur recombination: A direct approach

R. Koots, G. Brown, J. Pérez-Ríos

J. Chem. Phys. 161, 084302 (2024)

https://doi.org/10.1063/5.0222273

Published: August 2024

View articletitled, Sulfur recombination: A direct approach

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

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Low-energy dissociative recombination of OH⁺

Quantum calculation of the quasi-equilibrium constant involved in the formation of ⁴⁹O₃

Theoretical study of the excited states of NeH and of their non-adiabiatic couplings: A preliminary for the modeling of the dissociative recombination of NeH⁺

How accurate are lattice models with Gaussian energy disorder in describing charge-carrier transport and reactions in amorphous organic semiconductors?

Analysis of macroscopic cracks in triple cation perovskite films fabricated by the anisole antisolvent method

Dye–quencher pair screening for efficient photo-CIDNP: The role of molecular diffusion

Charge photogeneration dynamics in random terpolymer donor-based non-fullerene polymer solar cells

Bridge connectivity effects on photoinduced ground-state electron spin polarization

Comparative study on charge photogeneration dynamics of Y small molecule and polymerized Y small molecule based polymer solar cells

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

Low temperature dynamics of H + HeH + → H 2 + + He reaction: On the importance of long-range interaction

Statistical adiabatic channel model for termolecular reactions

Sulfur recombination: A direct approach

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

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