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The Journal of Chemical Physics
|
March 20, 2024
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, et al.
Nano Letters
|
November 28, 2017
Sulfur Adatom and Vacancy Accelerate Charge Recombination in MoS<sub>2</sub> but by Different Mechanisms: Time-Domain Ab Initio Analysis
Linqiu Li, Run Long, Thomas Bertolini, et al.
Journal of Chemical Theory and Computation
|
June 26, 2025
Basis-Discretized Surface Hopping for Auger Processes
Xuhui Xu, Shriya Gumber, Oleg V Prezhdo, et al.
The Journal of Physical Chemistry Letters
|
April 7, 2026
Symmetry-Orchestrated Spin Relaxation in Bilayer CrI<sub>3</sub>: A Time-Domain <i>ab initio</i> Study
Yongjia Li, Haoran Lu, Run Long, et al.
The Journal of Physical Chemistry Letters
|
January 20, 2023
Passivation of Hematite by a Semiconducting Overlayer Reduces Charge Recombination: An Insight from Nonadiabatic Molecular Dynamics
Hua Wang, Zhaohui Zhou, Run Long, et al.
The Journal of Physical Chemistry Letters
|
August 3, 2023
Great Influence of Pressure and Isotope Effects on Nonradiative Charge Loss in Hybrid Organic-Inorganic Perovskites
Xuesong Tian, Qiu Fang, Run Long, et al.
The Journal of Physical Chemistry Letters
|
September 25, 2018
Grain Boundary Facilitates Photocatalytic Reaction in Rutile TiO<sub>2</sub> Despite Fast Charge Recombination: A Time-Domain ab Initio Analysis
Yaqing Wei, Zhaohui Zhou, Wei-Hai Fang, et al.
The Journal of Physical Chemistry Letters
|
October 1, 2025
Anharmonic Motion-Induced Self-Passivation of Hydrogen Defects in Hybrid Organic-Inorganic Perovskites: Ab Initio Quantum Dynamics
Xuesong Tian, Andrey S Vasenko, Evgueni V Chulkov, et al.
The Journal of Physical Chemistry Letters
|
October 13, 2020
Edge Influence on Charge Carrier Localization and Lifetime in CH<sub>3</sub>NH<sub>3</sub>PbBr<sub>3</sub> Perovskite: <i>Ab Initio</i> Quantum Dynamics Simulation
Ran Shi, Andrey S Vasenko, Run Long, et al.
Journal of the American Chemical Society
|
May 30, 2024
Compression of Organic Molecules Coupled with Hydrogen Bonding Extends the Charge Carrier Lifetime in BA<sub>2</sub>SnI<sub>4</sub>
Xinbo Ma, Wei-Hai Fang, Run Long, et al.
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Search research articles
Search
Showing results (101-110 of 209) with videos related to
Sort By:
Page
of 21
The Journal of Chemical Physics
|
March 20, 2024
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, et al.
Nano Letters
|
November 28, 2017
Sulfur Adatom and Vacancy Accelerate Charge Recombination in MoS<sub>2</sub> but by Different Mechanisms: Time-Domain Ab Initio Analysis
Linqiu Li, Run Long, Thomas Bertolini, et al.
Journal of Chemical Theory and Computation
|
June 26, 2025
Basis-Discretized Surface Hopping for Auger Processes
Xuhui Xu, Shriya Gumber, Oleg V Prezhdo, et al.
The Journal of Physical Chemistry Letters
|
April 7, 2026
Symmetry-Orchestrated Spin Relaxation in Bilayer CrI<sub>3</sub>: A Time-Domain <i>ab initio</i> Study
Yongjia Li, Haoran Lu, Run Long, et al.
The Journal of Physical Chemistry Letters
|
January 20, 2023
Passivation of Hematite by a Semiconducting Overlayer Reduces Charge Recombination: An Insight from Nonadiabatic Molecular Dynamics
Hua Wang, Zhaohui Zhou, Run Long, et al.
The Journal of Physical Chemistry Letters
|
August 3, 2023
Great Influence of Pressure and Isotope Effects on Nonradiative Charge Loss in Hybrid Organic-Inorganic Perovskites
Xuesong Tian, Qiu Fang, Run Long, et al.
The Journal of Physical Chemistry Letters
|
September 25, 2018
Grain Boundary Facilitates Photocatalytic Reaction in Rutile TiO<sub>2</sub> Despite Fast Charge Recombination: A Time-Domain ab Initio Analysis
Yaqing Wei, Zhaohui Zhou, Wei-Hai Fang, et al.
The Journal of Physical Chemistry Letters
|
October 1, 2025
Anharmonic Motion-Induced Self-Passivation of Hydrogen Defects in Hybrid Organic-Inorganic Perovskites: Ab Initio Quantum Dynamics
Xuesong Tian, Andrey S Vasenko, Evgueni V Chulkov, et al.
The Journal of Physical Chemistry Letters
|
October 13, 2020
Edge Influence on Charge Carrier Localization and Lifetime in CH<sub>3</sub>NH<sub>3</sub>PbBr<sub>3</sub> Perovskite: <i>Ab Initio</i> Quantum Dynamics Simulation
Ran Shi, Andrey S Vasenko, Run Long, et al.
Journal of the American Chemical Society
|
May 30, 2024
Compression of Organic Molecules Coupled with Hydrogen Bonding Extends the Charge Carrier Lifetime in BA<sub>2</sub>SnI<sub>4</sub>
Xinbo Ma, Wei-Hai Fang, Run Long, et al.
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of 21