Seuraa
Antonio Tilocca
Antonio Tilocca
UCL
Vahvistettu sähköpostiosoite verkkotunnuksessa ucl.ac.uk - Kotisivu
Nimike
Viittaukset
Viittaukset
Vuosi
Local ordering and electronic signatures of submonolayer water on anatase TiO2(101)
Y He, A Tilocca, O Dulub, A Selloni, U Diebold
Nature materials 8 (7), 585-589, 2009
3792009
Time-Dependent DFT Study of [Fe(CN)6]4- Sensitization of TiO2 Nanoparticles
F De Angelis, A Tilocca, A Selloni
Journal of the American Chemical Society 126 (46), 15024-15025, 2004
2612004
The structure of bioactive silicate glasses: new insight from molecular dynamics simulations
A Tilocca, AN Cormack, NH de Leeuw
Chemistry of Materials 19 (1), 95-103, 2007
2072007
Structural models of bioactive glasses from molecular dynamics simulations
A Tilocca
Proceedings of the Royal Society A: Mathematical, Physical and Engineering …, 2009
2052009
Shell-model molecular dynamics calculations of modified silicate glasses
A Tilocca, NH de Leeuw, AN Cormack
Physical Review B—Condensed Matter and Materials Physics 73 (10), 104209, 2006
1952006
Structural effects of phosphorus inclusion in bioactive silicate glasses
A Tilocca, AN Cormack
The Journal of Physical Chemistry B 111 (51), 14256-14264, 2007
1932007
Structure and reactivity of water layers on defect-free and defective anatase TiO2 (101) surfaces
A Tilocca, A Selloni
The Journal of Physical Chemistry B 108 (15), 4743-4751, 2004
1892004
Reaction pathway and free energy barrier for defect-induced water dissociation on the (101) surface of -anatase
A Tilocca, A Selloni
The Journal of chemical physics 119 (14), 7445-7450, 2003
1762003
Vertical and lateral order in adsorbed water layers on anatase TiO2 (101)
A Tilocca, A Selloni
Langmuir 20 (19), 8379-8384, 2004
1612004
Adsorption of Water on Reconstructed Rutile TiO2 (011)-(2× 1): Ti O Double Bonds and Surface Reactivity
C Di Valentin, A Tilocca, A Selloni, TJ Beck, A Klust, M Batzill, Y Losovyj, ...
Journal of the American Chemical Society 127 (27), 9895-9903, 2005
1412005
On the unusual stability of Maya blue paint: molecular dynamics simulations
E Fois, A Gamba, A Tilocca
Microporous and Mesoporous Materials 57 (3), 263-272, 2003
1392003
Methanol adsorption and reactivity on clean and hydroxylated anatase (101) surfaces
A Tilocca, A Selloni
The Journal of Physical Chemistry B 108 (50), 19314-19319, 2004
1322004
Modeling the water− bioglass interface by ab initio molecular dynamics simulations
A Tilocca, AN Cormack
ACS Applied Materials & Interfaces 1 (6), 1324-1333, 2009
1282009
Models of structure, dynamics and reactivity of bioglasses: a review
A Tilocca
Journal of Materials Chemistry 20 (33), 6848-6858, 2010
1242010
Structure and dynamics of bioactive phosphosilicate glasses and melts from ab initio molecular dynamics simulations
A Tilocca
Physical Review B—Condensed Matter and Materials Physics 76 (22), 224202, 2007
1082007
The color and stability of Maya Blue: TDDFT calculations
A Tilocca, E Fois
The Journal of Physical Chemistry C 113 (20), 8683-8687, 2009
952009
Short-and medium-range structure of multicomponent bioactive glasses and melts: an assessment of the performances of shell-model and rigid-ion potentials
A Tilocca
The Journal of chemical physics 129 (8), 2008
922008
Sodium migration pathways in multicomponent silicate glasses: Car–Parrinello molecular dynamics simulations
A Tilocca
The Journal of chemical physics 133 (1), 2010
912010
Fluorine Environment in Bioactive Glasses: ab Initio Molecular Dynamics Simulations
JK Christie, A Pedone, MC Menziani, A Tilocca
The journal of physical chemistry B 115 (9), 2038-2045, 2011
902011
Surface signatures of bioactivity: MD simulations of 45S and 65S silicate glasses
A Tilocca, AN Cormack
Langmuir 26 (1), 545-551, 2010
902010
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Artikkelit 1–20