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Yulun Han
Yulun Han
Подтвержден адрес электронной почты в домене ndsu.edu
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Bright silicon nanocrystals from a liquid precursor: Quasi-direct recombination with high quantum yield
TA Pringle, KI Hunter, A Brumberg, KJ Anderson, JA Fagan, SA Thomas, ...
ACS nano 14 (4), 3858-3867, 2020
332020
Ab initio study of the photocurrent at the Au/Si metal–semiconductor nanointerface
Y Han, DA Micha, DS Kilin
Molecular Physics 113 (3-4), 327-335, 2015
282015
(BMI)3LnCl6 Crystals as Models for the Coordination Environment of LnCl3 (Ln = Sm, Eu, Dy, Er, Yb) in 1-Butyl-3-methylimidazolium Chloride Ionic-Liquid Solution
Y Han, C Lin, Q Meng, F Dai, AG Sykes, MT Berry, PS May
Inorganic Chemistry 53 (11), 5494-5501, 2014
262014
Photofragmentation of the Gas-Phase Lanthanum Isopropylcyclopentadienyl Complex: Computational Modeling vs Experiment
Y Han, Q Meng, B Rasulev, PS May, MT Berry, DS Kilin
The Journal of Physical Chemistry A 119 (44), 10838-10848, 2015
242015
Dynamics of charge transfer at Au/Si metal-semiconductor nano-interface
Y Han, S Tretiak, D Kilin
Molecular Physics 112 (3-4), 474-484, 2014
242014
Photoinduced Charge Transfer versus Fragmentation Pathways in Lanthanum Cyclopentadienyl Complexes
Y Han, Q Meng, B Rasulev, PS May, MT Berry, DS Kilin
Journal of Chemical Theory and Computation 13 (9), 4281-4296, 2017
212017
Photofragmentation of tetranitromethane: Spin-unrestricted time-dependent excited-state molecular dynamics
Y Han, B Rasulev, DS Kilin
The Journal of Physical Chemistry Letters 8 (14), 3185-3192, 2017
202017
Unexpected high binding energy of CO 2 on CH 3 NH 3 PbI 3 lead-halide organic–inorganic perovskites via bicarbonate formation
MT Nayakasinghe, Y Han, N Sivapragasam, DS Kilin, U Burghaus
Chemical Communications 54 (71), 9949-9952, 2018
152018
Photofragmentation Pathways for Gas-Phase Lanthanide Tris (isopropylcyclopentadienyl) Complexes
Y Han, DS Kilin, PS May, MT Berry, Q Meng
Organometallics 35 (20), 3461-3473, 2016
142016
Unraveling Photodimerization of Cyclohexasilane from Molecular Dynamics Studies
Y Han, K Anderson, EK Hobbie, P Boudjouk, DS Kilin
The Journal of Physical Chemistry Letters 9 (15), 4349-4354, 2018
132018
Molecular dynamics of laser-assisted decomposition of unstable molecules at the surface of carbon nanotubes: case study of CH2(NO2)2 on CNT(4,0)
B Disrud, Y Han, DS Kilin
Molecular Physics 115 (5), 674-682, 2017
112017
One-pot synthesis of enzyme@ metal–organic material (MOM) biocomposites for enzyme biocatalysis
Y Pan, H Li, M Lenertz, Y Han, A Ugrinov, D Kilin, B Chen, Z Yang
Green Chemistry 23 (12), 4466-4476, 2021
92021
Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces
D Kilin, SV Kilina, Y Han
American Chemical Society, 2019
92019
First-principles study of electron dynamics with explicit treatment of momentum dispersion on Si nanowires along different directions
Fatima, DJ Vogel, Y Han, TM Inerbaev, N Oncel, DS Kilin
Molecular Physics 117 (17), 2293-2302, 2019
82019
Photoexcited Electron Lifetimes Influenced by Momentum Dispersion in Silicon Nanowires
Fatima, Y Han, DJ Vogel, TM Inerbaev, N Oncel, EK Hobbie, DS Kilin
The Journal of Physical Chemistry C 123 (12), 7457-7466, 2019
82019
First-principles molecular dynamics of monomethylhydrazine and nitrogen dioxide
Y Han, EK Hobbie, DS Kilin
The Journal of Physical Chemistry Letters 10 (10), 2394-2399, 2019
72019
Photoinduced dynamics to photoluminescence in Ln3+ (Ln = Ce, Pr) doped β-NaYF4 nanocrystals computed in basis of non-collinear spin DFT with spin-orbit …
Y Han, DJ Vogel, TM Inerbaev, PS May, MT Berry, DS Kilin
Molecular Physics 116 (5-6), 697-707, 2018
62018
Nonradiative Relaxation Dynamics of a Cesium Lead Halide Perovskite Photovoltaic Architecture: Effect of External Electric Fields
Y Han, DS Kilin
The Journal of Physical Chemistry Letters 11 (23), 9983-9989, 2020
52020
Molecular dynamics of reactions between (4, 0) zigzag carbon nanotube and hydrogen peroxide under extreme conditions
B Disrud, Y Han, BJ Gifford, DS Kilin
Molecular Physics 116 (5-6), 708-716, 2018
52018
Adsorption of Formic Acid on CH3NH3PbI3 Lead–Halide Organic–Inorganic Perovskites
MT Nayakasinghe, Y Han, N Sivapragasam, DS Kilin, N Oncel, ...
The Journal of Physical Chemistry C 123 (37), 22873-22886, 2019
42019
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