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Dengpan Dong
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First-principles experimental demonstration of ferroelectricity in a thermotropic nematic liquid crystal: Polar domains and striking electro-optics
X Chen, E Korblova, D Dong, X Wei, R Shao, L Radzihovsky, MA Glaser, ...
Proceedings of the National Academy of Sciences 117 (25), 14021-14031, 2020
2432020
How Efficient is Li+ Ion Transport in Solvate Ionic Liquids under Anion-blocking Conditions in a Battery?
D Dong, F Salzer, B Roling, D Bedrov
Physical Chemistry Chemical Physics, 2018
962018
Grotthuss versus vehicular transport of hydroxide in anion-exchange membranes: insight from combined reactive and nonreactive molecular simulations
D Dong, W Zhang, ACT Van Duin, D Bedrov
The Journal of Physical Chemistry Letters 9 (4), 825-829, 2018
772018
Liquid-like interfaces mediate structural phase transitions in lead halide perovskites
CG Bischak, M Lai, Z Fan, D Lu, P David, D Dong, H Chen, AS Etman, ...
Matter 3 (2), 534-545, 2020
502020
Supramolecular self-assembly of methylated rotaxanes for solid polymer electrolyte application
L Imholt, D Dong, D Bedrov, I Cekic-Laskovic, M Winter, G Brunklaus
ACS Macro Letters 7 (7), 881-885, 2018
482018
Hydroxide transport and chemical degradation in anion exchange membranes: a combined reactive and non-reactive molecular simulation study
W Zhang, D Dong, D Bedrov, ACT Van Duin
Journal of materials chemistry A 7 (10), 5442-5452, 2019
402019
Charge transport in [Li (tetraglyme)][bis (trifluoromethane) sulfonimide] solvate ionic liquids: insight from molecular dynamics simulations
D Dong, D Bedrov
The Journal of Physical Chemistry B 122 (43), 9994-10004, 2018
392018
Quasi-solid single ion conducting polymer electrolyte membrane containing novel fluorinated poly (arylene ether sulfonimide) for lithium metal batteries
CH Krause, AJ Butzelaar, D Diddens, D Dong, P Théato, D Bedrov, ...
Journal of Power Sources 484, 229267, 2021
312021
Structural and dynamical properties of tetraalkylammonium bromide aqueous solutions: A molecular dynamics simulation study using a polarizable force field
D Dong, JB Hooper, D Bedrov
The Journal of Physical Chemistry B 121 (18), 4853-4863, 2017
302017
Role of cationic groups on structural and dynamical correlations in hydrated quaternary ammonium-functionalized poly(p-phenylene oxide)-based anion exchange membranes
D Dong, X Wei, JB Hooper, H Pan, D Bedrov
Physical Chemistry Chemical Physics 20, 19350-19362, 2018
292018
Multiscale modeling of structure, transport and reactivity in alkaline fuel cell membranes: Combined coarse-grained, atomistic and reactive molecular dynamics simulations
D Dong, W Zhang, A Barnett, J Lu, ACT Van Duin, V Molinero, D Bedrov
Polymers 10 (11), 1289, 2018
272018
Controlling the self-assembly of perfluorinated surfactants in aqueous environments
D Dong, S Kancharla, J Hooper, M Tsianou, D Bedrov, P Alexandridis
Physical Chemistry Chemical Physics 23 (16), 10029-10039, 2021
252021
Adsorption mechanism of perfluorooctanoate on cyclodextrin-based polymers: probing the synergy of electrostatic and hydrophobic interactions with molecular dynamics simulations
A Choudhary, D Dong, M Tsianou, P Alexandridis, D Bedrov
ACS Materials Letters 4 (5), 853-859, 2022
242022
Transport mechanism of lithium ions in non-coordinating P (VdF-HFP) copolymer matrix
L Mathies, D Diddens, D Dong, D Bedrov, H Leipner
Solid State Ionics 357, 115497, 2020
192020
Small groups, big impact: eliminating li+ traps in single-ion conducting polymer electrolytes
K Borzutzki‡, D Dong‡, C Wölke, M Kruteva, A Stellhorn, M Winter, ...
iScience 23 (8), 101417, 2020
192020
The 1-ethyl-3-methylimidazolium bis (trifluoro-methylsulfonyl)-imide ionic liquid nanodroplets on solid surfaces and in electric field: A molecular dynamics simulation study
D Dong, JP Vatamanu, X Wei, D Bedrov
The Journal of Chemical Physics 148 (19), 2018
182018
GenX in water: Interactions and self-assembly
S Kancharla, A Choudhary, RT Davis, D Dong, D Bedrov, M Tsianou, ...
Journal of Hazardous Materials 428, 128137, 2022
162022
Structure and interactions in perfluorooctanoate micellar solutions revealed by small-angle neutron scattering and molecular dynamics simulations studies: Effect of urea
S Kancharla, D Dong, D Bedrov, M Tsianou, P Alexandridis
Langmuir 37 (17), 5339-5347, 2021
142021
Coupling–Decoupling Transition between Li+ Transport and Segmental Relaxation in Solid Polymer Electrolytes
D Dong, A Choudhary, D Bedrov
ACS Applied Polymer Materials 2 (12), 5358-5364, 2020
92020
Aqueous electrolytes reinforced by Mg and Ca ions for highly reversible Fe metal batteries
J Liu, D Dong, AL Caro, NS Andreas, Z Li, Y Qin, D Bedrov, T Gao
ACS central science 8 (6), 729-740, 2022
82022
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