Segui
Difan Zhang
Titolo
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Citata da
Anno
Multiscale computational understanding and growth of 2D materials: a review
K Momeni, Y Ji, Y Wang, S Paul, S Neshani, DE Yilmaz, YK Shin, ...
npj Computational Materials 6 (1), 22, 2020
1132020
Computational Study of Low Interlayer Friction in Tin+1Cn (n = 1, 2, and 3) MXene
D Zhang, M Ashton, A Ostadhossein, ACT Van Duin, RG Hennig, ...
ACS applied materials & interfaces 9 (39), 34467-34479, 2017
962017
Hydrogen bonding enhances the electrochemical hydrogenation of benzaldehyde in the aqueous phase
U Sanyal, SF Yuk, K Koh, MS Lee, K Stoerzinger, D Zhang, LC Meyer, ...
Angewandte Chemie 133 (1), 294-300, 2021
542021
Graphene–titanium interfaces from molecular dynamics simulations
AF Fonseca, T Liang, D Zhang, K Choudhary, SR Phillpot, SB Sinnott
ACS applied materials & interfaces 9 (38), 33288-33297, 2017
372017
Ab initio molecular dynamics with enhanced sampling in heterogeneous catalysis
GM Piccini, MS Lee, SF Yuk, D Zhang, G Collinge, L Kollias, MT Nguyen, ...
Catalysis Science & Technology 12 (1), 12-37, 2022
332022
Molecular simulation of capture of sulfur-containing gases by porous aromatic frameworks
D Zhang, X Jing, DS Sholl, SB Sinnott
The Journal of Physical Chemistry C 122 (32), 18456-18467, 2018
332018
Properties of Ti/TiC interfaces from molecular dynamics simulations
T Liang, M Ashton, K Choudhary, D Zhang, AF Fonseca, BC Revard, ...
The Journal of Physical Chemistry C 120 (23), 12530-12538, 2016
312016
Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide
AF Fonseca, T Liang, D Zhang, K Choudhary, SB Sinnott
Computational Materials Science 114, 236-243, 2016
312016
Molecular‐Level Overhaul of γ‐Aminopropyl Aminosilicone/Triethylene Glycol Post‐Combustion CO2‐Capture Solvents
DC Cantu, D Malhotra, MT Nguyen, PK Koech, D Zhang, VA Glezakou, ...
ChemSusChem 13 (13), 3429-3438, 2020
222020
Computational investigation on CO2 adsorption in titanium carbide-derived carbons with residual titanium
D Zhang, MR Dutzer, T Liang, AF Fonseca, Y Wu, KS Walton, DS Sholl, ...
Carbon 111, 741-751, 2017
142017
Dynamics of graphene/Al interfaces using COMB3 potentials
D Zhang, AF Fonseca, T Liang, SR Phillpot, SB Sinnott
Physical Review Materials 3 (11), 114002, 2019
132019
Toward self-healing concrete infrastructure: review of experiments and simulations across scales
MT Nguyen, CA Fernandez, MM Haider, KH Chu, G Jian, S Nassiri, ...
Chemical Reviews 123 (18), 10838-10876, 2023
92023
The structure of graphene on graphene/C60/Cu interfaces: A molecular dynamics study
AF Fonseca, SO Dantas, DS Galvão, D Zhang, SB Sinnott
Nanotechnology 30 (50), 505707, 2019
92019
Tuning the Charge and Hydrophobicity of Graphene Oxide Membranes by Functionalization with Ionic Liquids at Epoxide Sites
S Tan, D Zhang, MT Nguyen, V Shutthanandan, T Varga, R Rousseau, ...
ACS Applied Materials & Interfaces 14 (16), 19031-19042, 2022
82022
Atomic scale understanding of organic anion separations using ion-exchange resins
D Zhang, P Gurunathan, L Valentino, Y Lin, R Rousseau, V Glezakou
Journal of Membrane Science 624, 118890, 2021
72021
Titanium-carbide formation at defective curved graphene-titanium interfaces
AF Fonseca, T Liang, D Zhang, K Choudhary, SR Phillpot, SB Sinnott
MRS advances 3 (8-9), 457-462, 2018
72018
Subtle changes in hydrogen bond orientation result in glassification of carbon capture solvents
JL Bañuelos, MS Lee, MT Ngyuen, D Zhang, D Malhotra, DC Cantu, ...
Physical Chemistry Chemical Physics 22 (34), 19009-19021, 2020
62020
Influence of surface and intermolecular interactions on the properties of supported polyoxometalates
OM Primera-Pedrozo, S Tan, D Zhang, BT O'Callahan, W Cao, ET Baxter, ...
Nanoscale 15 (12), 5786-5797, 2023
52023
Functionalization of Electrodes with Tunable [EMIM]x[Cl]x+1 Ionic Liquid Clusters for Electrochemical Separations
ET Baxter, J Zhang, S Tan, MT Nguyen, D Zhang, Q Yuan, W Cao, ...
Chemistry of Materials 34 (6), 2612-2623, 2022
52022
Advanced Theory and Simulation to Guide the Development of CO2 Capture Solvents
L Kollias, D Zhang, SI Allec, MT Nguyen, MS Lee, DC Cantu, R Rousseau, ...
ACS omega 7 (15), 12453-12466, 2022
32022
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