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Giuseppe Mallia
Observed names:
G Mallia,
G. Mallia,
Mallia, Giuseppe
Institution:
Imperial College London
Observed institutions:
Royal Institution of Great Britain,
London Centre for Nanotechnology,
Daresbury Laboratory,
Thomas Young Centre,
University of Southampton,
Imperial College London,
University of Turin,
Massachusetts Institute of Technology
show all 8
ORCID:
0000-0002-3095-6498
Observed ORCID:
0000-0002-3095-6498
OpenAlex ID:
A5013361535
The Performance of Hybrid Density Functionals in Solid State Chemistry
2012
·
Furio Corà
, Maria Alfredsson
, et al.
·
Structure and bonding
·
190
Electronic structure of the Ti4O7 Magnéli phase
2009
·
Leandro Liborio
, Giuseppe Mallia
, et al.
·
Physical Review B
·
93
Defect physics of CuGaS2
2010
·
Christine L. Bailey
, Leandro Liborio
, et al.
·
Physical Review B
·
69
PDF
Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systems
2003
·
Clovis Darrigan
, Michel Rérat
, et al.
·
Journal of Computational Chemistry
·
57
An efficient method for computing the binding energy of an adsorbed molecule within a periodic approach. The application to vinyl fluoride at rutile TiO2(1 1 0) surface
2011
·
J. Scaranto
, G. Mallia
, et al.
·
Computational Materials Science
·
53
F center in LiF: A quantum mechanicalab initioinvestigation of the hyperfine interaction between the unpaired electron at the vacancy and its first seven neighbors
2001
·
G. Mallia
, R. Orlando
, et al.
·
Physical review. B, Condensed matter
·
49
Thermodynamic stability of LaMnO 3 and its competing oxides: A hybrid density functional study of an alkaline fuel cell catalyst
2011
·
E. A. Ahmad
, L. Liborio
, et al.
·
Physical Review B
·
43
Unravelling Some of the Structure–Property Relationships in Graphene Oxide at Low Degree of Oxidation
2018
·
Filippo Savazzi
, Francesca Risplendi
, et al.
·
The Journal of Physical Chemistry Letters
·
42
Ab initiocomplex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes
2012
·
Andrea Ferretti
, Giuseppe Mallia
, et al.
·
Physical Review B
·
42
PDF
Magnetic moment and coupling mechanism of iron-doped rutile TiO2 from first principles
2007
·
G. Mallia
, N. M. Harrison
·
Physical Review B
·
41
Chemistry of defect induced photoluminescence in chalcopyrites: The case of CuAlS2
2011
·
Leandro M. Liborio
, Christine L. Bailey
, et al.
·
Journal of Applied Physics
·
38
First-Principles Study of the Water Adsorption on Anatase(101) as a Function of the Coverage
2018
·
Ruth Martinez-Casado
, Giuseppe Mallia
, et al.
·
The Journal of Physical Chemistry C
·
37
Water adsorption on rutile TiO 2 (110) for applications in solar hydrogen production: A systematic hybrid-exchange density functional study
2012
·
M. Patel
, G. Mallia
, et al.
·
Physical Review B
·
36
Parallel implementation of the ab initio CRYSTAL program: electronic structure calculations for periodic systems
2011
·
I. J. Bush
, S. Tomić
, et al.
·
Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences
·
36
Tunable, Low Optical Loss Strontium Molybdate Thin Films for Plasmonic Applications
2017
·
Matthew P. Wells
, Bin Zou
, et al.
·
Advanced Optical Materials
·
34
PDF
Periodic quantum mechanical simulation of the He–MgO(100) interaction potential
2011
·
R. Martinez-Casado
, G. Mallia
, et al.
·
The Journal of Chemical Physics
·
34
A quantum-mechanical study of the vinyl fluoride adsorbed on the rutile TiO2(110) surface
2005
·
J. Scaranto
, G. Mallia
, et al.
·
Surface Science
·
31
The Effect of Surface Reconstruction on the Oxygen Reduction Reaction Properties of LaMnO 3
2019
·
Reinis Ignatans
, Giuseppe Mallia
, et al.
·
The Journal of Physical Chemistry C
·
27
A quantum mechanical study of water adsorption on the (110) surfaces of rutile SnO 2 and TiO 2 : investigating the effects of intermolecular interactions using hybrid-exchange density functional theory
2014
·
M. Patel
, F. F. Sanches
, et al.
·
Physical Chemistry Chemical Physics
·
27
Mind the Interface Gap: Exposing Hidden Interface Defects at the Epitaxial Heterostructure between CuO and Cu2O
2022
·
Aleksandar Živković
, Giuseppe Mallia
, et al.
·
ACS Applied Materials & Interfaces
·
26
The stability of LaMnO3 surfaces: a hybrid exchange density functional theory study of an alkaline fuel cell catalyst
2013
·
E. A. Ahmad
, G. Mallia
, et al.
·
Journal of Materials Chemistry A
·
25
A quantum-mechanical study of the adsorption of prototype dye molecules on rutile-TiO 2 (110): a comparison between catechol and isonicotinic acid
2012
·
F. Risplendi
, G. Cicero
, et al.
·
Physical Chemistry Chemical Physics
·
21
Optimizing Oxygen Reduction Catalyst Morphologies from First Principles
2015
·
Ehsan A. Ahmad
, Vasiliki Tileli
, et al.
·
The Journal of Physical Chemistry C
·
18
Approaching an exact treatment of electronic correlations at solid surfaces: The binding energy of the lowest bound state of helium adsorbed on MgO(100)
2014
·
Ruth Martinez-Casado
, Denis Usvyat
, et al.
·
Physical Review B
·
17
PDF
Hybrid density functional study of structural, bonding, and electronic properties of the manganite series La1−x Cax MnO3 ( x=0,14,1 )
2014
·
R. Korotana
, G. Mallia
, et al.
·
Physical Review B
·
17
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Works count:
65
Citation count:
1,302
H-index:
21
I10-index:
34
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