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Currently displaying 41 - 53 of 53 publications

Formation of Methane Hydrate in the Presence of Natural and Synthetic Nanoparticles

SJ Cox, DJF Taylor, TGA Youngs, AK Soper, TS Totton, RG Chapman, M Arjmandi, MG Hodges, NT Skipper, A Michaelides

– Journal of the American Chemical Society

(2018)

140,

3277

(doi: 10.1021/jacs.7b12050)

Mechanism of ion adsorption to aqueous interfaces: Graphene/water vs. air/water.

DL McCaffrey, SC Nguyen, SJ Cox, H Weller, AP Alivisatos, PL Geissler, RJ Saykally

– Proceedings of the National Academy of Sciences

(2017)

114,

13369

(doi: 10.1073/pnas.1702760114)

Active sites in heterogeneous ice nucleation-the example of K-rich feldspars.

A Kiselev, F Bachmann, P Pedevilla, SJ Cox, A Michaelides, D Gerthsen, T Leisner

– Science

(2016)

355,

367

(doi: 10.1126/science.aai8034)

Toward Accurate Adsorption Energetics on Clay Surfaces.

A Zen, LM Roch, SJ Cox, XL Hu, S Sorella, D Alfè, A Michaelides

– Journal of Physical Chemistry C

(2016)

120,

26402

(doi: 10.1021/acs.jpcc.6b09559)

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.

GC Sosso, J Chen, SJ Cox, M Fitzner, P Pedevilla, A Zen, A Michaelides

– Chemical Reviews

(2016)

116,

7078

(doi: 10.1021/acs.chemrev.5b00744)

Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K‑feldspar Microcline

P Pedevilla, SJ Cox, B Slater, A Michaelides

– J Phys Chem C Nanomater Interfaces

(2016)

120,

6704

(doi: 10.1021/acs.jpcc.6b01155)

The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity

M Fitzner, GC Sosso, SJ Cox, A Michaelides

– Journal of the American Chemical Society

(2015)

137,

13658

(doi: 10.1021/jacs.5b08748)

Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity.

SJ Cox, SM Kathmann, B Slater, A Michaelides

– Journal of Chemical Physics

(2015)

142,

184704

(doi: 10.1063/1.4919714)

Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers.

SJ Cox, SM Kathmann, B Slater, A Michaelides

– The Journal of Chemical Physics

(2015)

142,

184705

(doi: 10.1063/1.4919715)

Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo.

SJ Cox, MD Towler, D Alfè, A Michaelides

– The Journal of Chemical Physics

(2014)

140,

174703

(doi: 10.1063/1.4871873)

The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals

SJ Cox, Z Raza, SM Kathmann, B Slater, A Michaelides

– Faraday discussions

(2013)

167,

389