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  • Currently displaying 141 - 160 of 329 publications
Author(s)
Publication title
Journal Name
Publication year
Ice is born in low-mobility regions of supercooled liquid water
M Fitzner, GC Sosso, SJ Cox, A Michaelides
Proceedings of the National Academy of Sciences
(2019)
116
(doi: 10.1073/pnas.1817135116)
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods.
JG Brandenburg, A Zen, M Fitzner, B Ramberger, G Kresse, T Tsatsoulis, A Grüneis, A Michaelides, D Alfè
Journal of Physical Chemistry Letters
(2019)
10
(doi: 10.1021/acs.jpclett.8b03679)
Adsorption Behavior of Organic Molecules: A Study of Benzotriazole on Cu(111) with Spectroscopic and Theoretical Methods
C Gattinoni, P Tsaousis, C Euaruksakul, R Price, DA Duncan, T Pascal, D Prendergast, G Held, A Michaelides
Langmuir : the ACS journal of surfaces and colloids
(2019)
35
(doi: 10.1021/acs.langmuir.8b03528)
Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys.
MT Darby, M Stamatakis, A Michaelides, ECH Sykes
Journal of Physical Chemistry Letters
(2018)
9
(doi: 10.1021/acs.jpclett.8b01888)
Unravelling the origins of ice nucleation on organic crystals
GC Sosso, TF Whale, MA Holden, P Pedevilla, BJ Murray, A Michaelides
Chemical science
(2018)
9
(doi: 10.1039/c8sc02753f)
Visualization of Water-Induced Surface Segregation of Polarons on Rutile TiO2(110)
CM Yim, J Chen, Y Zhang, B-J Shaw, CL Pang, DC Grinter, H Bluhm, M Salmeron, CA Muryn, A Michaelides, G Thornton
The journal of physical chemistry letters
(2018)
9
(doi: 10.1021/acs.jpclett.8b01904)
One‐Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single‐Wall Carbon Nanotubes
M Hart, J Chen, A Michaelides, A Sella, MSP Shaffer, CG Salzmann
Angewandte Chemie
(2018)
130
(doi: 10.1002/ange.201805856)
One-Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single-Wall Carbon Nanotubes.
M Hart, J Chen, A Michaelides, A Sella, MSP Shaffer, CG Salzmann
Angewandte Chemie International Edition
(2018)
57
(doi: 10.1002/anie.201805856)
Chirality at two-dimensional surfaces: A perspective from small molecule alcohol assembly on Au(111).
ML Liriano, AM Larson, C Gattinoni, J Carrasco, AE Baber, EA Lewis, CJ Murphy, TJ Lawton, MD Marcinkowski, AJ Therrien, A Michaelides, ECH Sykes
J Chem Phys
(2018)
149
(doi: 10.1063/1.5035500)
Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces.
P Pedevilla, M Fitzner, GC Sosso, A Michaelides
The Journal of chemical physics
(2018)
149
(doi: 10.1063/1.5029336)
Elucidating the Stability and Reactivity of Surface Intermediates on Single-Atom Alloy Catalysts
MT Darby, R Réocreux, ECH Sykes, A Michaelides, M Stamatakis
ACS Catalysis
(2018)
8
(doi: 10.1021/acscatal.8b00881)
Sticky when wet.
J Chen, A Michaelides
Nat Chem
(2018)
10
(doi: 10.1038/s41557-018-0024-9)
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
J Am Chem Soc
(2018)
140
(doi: 10.1021/jacs.7b12050)
Fast and accurate quantum Monte Carlo for molecular crystals.
A Zen, JG Brandenburg, J Klimeš, A Tkatchenko, D Alfè, A Michaelides
Proceedings of the National Academy of Sciences
(2018)
115
(doi: 10.1073/pnas.1715434115)
Development of a machine learning potential for graphene
P Rowe, G Csányi, D Alfè, A Michaelides
Physical Review B
(2018)
97
(doi: 10.1103/physrevb.97.054303)
Carbon Monoxide Poisoning Resistance and Structural Stability of Single Atom Alloys
MT Darby, ECH Sykes, A Michaelides, M Stamatakis
Topics in Catalysis
(2018)
61
(doi: 10.1007/s11244-017-0882-1)
Pt/Cu single-atom alloys as coke-resistant catalysts for efficient C-H activation
MD Marcinkowski, MT Darby, J Liu, JM Wimble, FR Lucci, S Lee, A Michaelides, M Flytzani-Stephanopoulos, M Stamatakis, ECH Sykes
Nature chemistry
(2018)
10
(doi: 10.1038/NCHEM.2915)
Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation
M Fitzner, GC Sosso, F Pietrucci, S Pipolo, A Michaelides
Nature Communications
(2017)
8
(doi: 10.1038/s41467-017-02300-x)
Hydrogenation Facilitates Proton Transfer through Two-Dimensional Honeycomb Crystals.
Y Feng, J Chen, W Fang, E-G Wang, A Michaelides, X-Z Li
Journal of Physical Chemistry Letters
(2017)
8
(doi: 10.1021/acs.jpclett.7b02820)
Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivatives
YS Al-Hamdani, A Michaelides, OA von Lilienfeld
The Journal of chemical physics
(2017)
147
(doi: 10.1063/1.4986314)
Yusuf Hamied Department of Chemistry
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