1-20 of 213
Charge transport
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Enhanced decoupling of conductivity relaxation from structural relaxation in non-stoichiometric protic ionic liquids involving triflic acid and 2-aminoethyl hydrogen sulfate

Jinhai You, Jessica Mangialetto, Bing-Yu Li, Xu Jia, Runhong Wei, Li Niu, Wim De Borggraeve, Michael Wübbenhorst
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 204503 (2024)
https://doi.org/10.1063/5.0226004
Published: November 2024
View article titled, Enhanced decoupling of conductivity relaxation from structural relaxation in non-stoichiometric protic ionic liquids involving triflic acid and 2-aminoethyl hydrogen sulfate
Open the PDF for Enhanced decoupling of conductivity relaxation from structural relaxation in non-stoichiometric protic ionic liquids involving triflic acid and 2-aminoethyl hydrogen sulfate in another window
Journal Articles

Proton transport mechanisms in aqueous acids: Insights from ab initio molecular dynamics simulations

Zhenghao Zhu, Alexei P. Sokolov, Stephen J. Paddison
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154504 (2024)
https://doi.org/10.1063/5.0222398
Published: October 2024
View article titled, Proton transport mechanisms in aqueous acids: Insights from <em>ab initio</em> molecular dynamics simulations
Open the PDF for Proton transport mechanisms in aqueous acids: Insights from <em>ab initio</em> molecular dynamics simulations in another window
Journal Articles

Charge transport in organic semiconductors from the mapping approach to surface hopping

Johan E. Runeson, Thomas J. G. Drayton, David E. Manolopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 144102 (2024)
https://doi.org/10.1063/5.0226001
Published: October 2024
View article titled, Charge transport in organic semiconductors from the mapping approach to surface hopping
Open the PDF for Charge transport in organic semiconductors from the mapping approach to surface hopping in another window
Journal Articles

A stochastic Schrödinger equation and matrix product state approach to carrier transport in organic semiconductors with nonlocal electron–phonon interaction

Liqi Zhou, Xing Gao, Zhigang Shuai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 084118 (2024)
https://doi.org/10.1063/5.0221143
Published: August 2024
View article titled, A stochastic Schrödinger equation and matrix product state approach to carrier transport in organic semiconductors with nonlocal electron–phonon interaction
Open the PDF for A stochastic Schrödinger equation and matrix product state approach to carrier transport in organic semiconductors with nonlocal electron–phonon interaction in another window
Journal Articles

Optimal tree tensor network operators for tensor network simulations: Applications to open quantum systems

Weitang Li, Jiajun Ren, Hengrui Yang, Haobin Wang, Zhigang Shuai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054116 (2024)
https://doi.org/10.1063/5.0218773
Published: August 2024
View article titled, Optimal tree tensor network operators for tensor network simulations: Applications to open quantum systems
Open the PDF for Optimal tree tensor network operators for tensor network simulations: Applications to open quantum systems in another window
Journal Articles

Large-bipolaron liquids in cuprate superconductors

David Emin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 210901 (2024)
https://doi.org/10.1063/5.0208583
Published: June 2024
View article titled, Large-bipolaron liquids in cuprate superconductors
Open the PDF for Large-bipolaron liquids in cuprate superconductors in another window
Journal Articles

Exploring structure–property landscape of non-fullerene acceptors for organic solar cells

Khantil Patel, Rudranarayan Khatua, Kalyani Patrikar, Anirban Mondal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 144709 (2024)
https://doi.org/10.1063/5.0191650
Published: April 2024
View article titled, Exploring structure–property landscape of non-fullerene acceptors for organic solar cells
Open the PDF for Exploring structure–property landscape of non-fullerene acceptors for organic solar cells in another window
Includes: Supplementary data
Journal Articles

Silver induced chirality controlled spin filtration observed in ss-DNA functionalized with MoS2

Abhinandan Kumar, Subrata Majumder
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 124702 (2024)
https://doi.org/10.1063/5.0192066
Published: March 2024
View article titled, Silver induced chirality controlled spin filtration observed in ss-DNA functionalized with MoS<sub>2</sub>
Open the PDF for Silver induced chirality controlled spin filtration observed in ss-DNA functionalized with MoS<sub>2</sub> in another window
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
Journal: The Journal of Chemical Physics
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
Open the PDF for Unraveling the rapid ion migration in perovskite solar cells by circuit-switched transient photoelectric technique in another window
Includes: Supplementary data
Journal Articles

Fluorinated organic ammonium salt passivation for high-efficiency and stable inverted CsPbI2Br perovskite solar cells

Xin Liu, Xingchen She, Lang Wang, Wei Li, Wen Zhang, Shu Wang, Peihua Wangyang, Zhijun Wang, Jie Li, Xumei Cui, Mu Lan, Liqin Liu, Hui Sun, Jun Zhang, Dingyu Yang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 094705 (2024)
https://doi.org/10.1063/5.0192041
Published: March 2024
View article titled, Fluorinated organic ammonium salt passivation for high-efficiency and stable inverted CsPbI<sub>2</sub>Br perovskite solar cells
Open the PDF for Fluorinated organic ammonium salt passivation for high-efficiency and stable inverted CsPbI<sub>2</sub>Br perovskite solar cells in another window
Includes: Supplementary data
Journal Articles

Assessing OPLS-based force fields for investigating the characteristics of imidazolium-based dicationic ionic liquids: A comparative study with AIMD simulations and experimental findings

Zahra Ostadsharif Memar, Majid Moosavi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 244504 (2023)
https://doi.org/10.1063/5.0180900
Published: December 2023
View article titled, Assessing OPLS-based force fields for investigating the characteristics of imidazolium-based dicationic ionic liquids: A comparative study with AIMD simulations and experimental findings
Open the PDF for Assessing OPLS-based force fields for investigating the characteristics of imidazolium-based dicationic ionic liquids: A comparative study with AIMD simulations and experimental findings in another window
Journal Articles

Charge transport in highly acidic glass-forming protic ionic liquids tailored by zwitterionic precursors

Jinhai You, Bing-Yu Li, Wim De Borggraeve, Michael Wübbenhorst
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 164503 (2023)
https://doi.org/10.1063/5.0165407
Published: October 2023
View article titled, Charge transport in highly acidic glass-forming protic ionic liquids tailored by zwitterionic precursors
Open the PDF for Charge transport in highly acidic glass-forming protic ionic liquids tailored by zwitterionic precursors in another window
Includes: Supplementary data
Journal Articles

Efficient calculation of electronic coupling integrals with the dimer projection method via a density matrix tight-binding potential

Editor’s Pick
J. T. Kohn, N. Gildemeister, S. Grimme, D. Fazzi, A. Hansen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 144106 (2023)
https://doi.org/10.1063/5.0167484
Published: October 2023
View article titled, Efficient calculation of electronic coupling integrals with the dimer projection method via a density matrix tight-binding potential
Open the PDF for Efficient calculation of electronic coupling integrals with the dimer projection method via a density matrix tight-binding potential in another window
Includes: Supplementary data
Journal Articles

Chirality induced spin selectivity in chiral hybrid organic–inorganic perovskites

Jingying Wang, Baorui Mao, Zeev Valy Vardeny
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 091002 (2023)
https://doi.org/10.1063/5.0160032
Published: September 2023
View article titled, Chirality induced spin selectivity in chiral hybrid organic–inorganic perovskites
Open the PDF for Chirality induced spin selectivity in chiral hybrid organic–inorganic perovskites in another window
Journal Articles

Holstein polaron transport from numerically “exact” real-time quantum dynamics simulations

Veljko Janković
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 094113 (2023)
https://doi.org/10.1063/5.0165532
Published: September 2023
View article titled, Holstein polaron transport from numerically “exact” real-time quantum dynamics simulations
Open the PDF for Holstein polaron transport from numerically “exact” real-time quantum dynamics simulations in another window
Includes: Supplementary data
Journal Articles

Elimination of the bias-stress effect in ligand-free quantum dot field-effect transistors

Jason Tolentino, Markelle Gibbs, Alex Abelson, Matt Law
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 044709 (2023)
https://doi.org/10.1063/5.0152100
Published: July 2023
View article titled, Elimination of the bias-stress effect in ligand-free quantum dot field-effect transistors
Open the PDF for Elimination of the bias-stress effect in ligand-free quantum dot field-effect transistors in another window
Includes: Supplementary data
Journal Articles

A modeling approach to understanding OLED performance improvements arising from spatial variations in guest:host blend ratio

M. Greenberg, S. Sanderson, R. D. White, G. Vamvounis, P. L. Burn, B. Philippa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 034101 (2023)
https://doi.org/10.1063/5.0152922
Published: July 2023
View article titled, A modeling approach to understanding OLED performance improvements arising from spatial variations in guest:host blend ratio
Open the PDF for A modeling approach to understanding OLED performance improvements arising from spatial variations in guest:host blend ratio in another window
Includes: Supplementary data
Journal Articles

Machine-learned dynamic disorder of electron transfer coupling

Yi-Siang Wang, Chun-I Wang, Chou-Hsun Yang, Chao-Ping Hsu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 034103 (2023)
https://doi.org/10.1063/5.0155377
Published: July 2023
View article titled, Machine-learned dynamic disorder of electron transfer coupling
Open the PDF for Machine-learned dynamic disorder of electron transfer coupling in another window
Journal Articles

Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors

Andriy Zhugayevych, Kun-Han Lin, Denis Andrienko
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 024107 (2023)
https://doi.org/10.1063/5.0155488
Published: July 2023
View article titled, Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors
Open the PDF for Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors in another window
Includes: Supplementary data
Journal Articles

Spin-selectivity effect of G-quadruplex DNA molecules

Lei Deng, Irfan Hussain Bhat, Ai-Min Guo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 244116 (2023)
https://doi.org/10.1063/5.0156389
Published: June 2023
View article titled, Spin-selectivity effect of G-quadruplex DNA molecules
Open the PDF for Spin-selectivity effect of G-quadruplex DNA molecules in another window