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 | 256 | 2020 |
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 | 96 | 2018 |
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 | 78 | 2018 |
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 | 52 | 2020 |
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 | 49 | 2018 |
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 | 43 | 2019 |
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 | 39 | 2018 |
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 | 31 | 2021 |
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 | 30 | 2018 |
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 | 30 | 2017 |
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 | 27 | 2018 |
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 | 25 | 2021 |
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 | 24 | 2022 |
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 | 19 | 2022 |
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 | 19 | 2020 |
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 | 19 | 2020 |
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 | 19 | 2018 |
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 | 14 | 2021 |
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 | 10 | 2020 |
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 | 9 | 2022 |