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Journal of Chemical Theory and Computation|October 19, 2021
Defect Tolerance Mechanism Revealed! Influence of Polaron Occupied Surface Trap States on CsPbBr3 Nanocrystal Photoluminescence: Ab Initio Excited-State DynamicsAaron Forde, Dmitri Kilin
RSC Advances|April 15, 2022
Effect of ligand groups on photoexcited charge carrier dynamics at the perovskite/TiO2 interfaceLandon Johnson, Dmitri Kilin
The Journal of Physical Chemistry Letters|September 11, 2018
Dynamics of Charge Transfer and Multiple Exciton Generation in the Doped Silicon Quantum Dot-Carbon Nanotube System: Density Functional Theory-Based ComputationAndrei Kryjevski, Deyan Mihaylov, Dmitri Kilin
The Journal of Chemical Physics|October 23, 2017
Multiple exciton generation in chiral carbon nanotubes: Density functional theory based computationAndrei Kryjevski, Deyan Mihaylov, Svetlana Kilina, et al.
Environmental Science and Pollution Research International|February 5, 2026
Mechanistic insights into PVC microplastic adsorption on montmorillonite: A first-principles approach toward pollution controlHafiz Muhammad Umer Aslam, Achintya Bezbaruah, Dmitri Kilin
The Journal of Physical Chemistry Letters|May 11, 2022
Molecular Dynamics Study of the Photodegradation of Polymeric ChainsMeade Erickson, Yulun Han, Bakhtiyor Rasulev, et al.
The Journal of Physical Chemistry. B|July 29, 2021
First-Principles Study on the Electronic Properties of PDPP-Based Conjugated Polymer via Density Functional TheoryAmirhadi Alesadi, F Fatima, Wenjie Xia, et al.
The Journal of Chemical Physics|October 27, 2016
Theoretical predictions on efficiency of bi-exciton formation and dissociation in chiral carbon nanotubesAndrei Kryjevski, Brendan Gifford, Svetlana Kilina, et al.
The Journal of Chemical Physics|July 24, 2017
Singlet fission in chiral carbon nanotubes: Density functional theory based computationAndrei Kryjevski, Deyan Mihaylov, Brendan Gifford, et al.
Polymers|July 13, 2024
Inter-Oligomer Interaction Influence on Photoluminescence in Cis-Polyacetylene Semiconductor MaterialsKamrun N Keya, Yulun Han, Wenjie Xia, et al.
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