Marco Fronzi
TitleCited byYear
Water adsorption on the stoichiometric and reduced CeO 2 (111) surface: a first-principles investigation
M Fronzi, S Piccinin, B Delley, E Traversa, C Stampfl
Physical Chemistry Chemical Physics 11 (40), 9188-9199, 2009
1732009
Stability and morphology of cerium oxide surfaces in an oxidizing environment: a first-principles investigation
M Fronzi, A Soon, B Delley, E Traversa, C Stampfl
The Journal of Chemical Physics 131 (10), 104701, 2009
1242009
Design of Novel Visible Light Active Photocatalyst Materials: Surface Modified TiO2
M Nolan, A Iwaszuk, AK Lucid, JJ Carey, M Fronzi
Advanced Materials 28 (27), 5425-5446, 2016
742016
First-principles investigation of quantum emission from hBN defects
SA Tawfik, S Ali, M Fronzi, M Kianinia, TT Tran, C Stampfl, I Aharonovich, ...
Nanoscale 9 (36), 13575-13582, 2017
572017
Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysis
H Kimizuka, M Fronzi, S Ogata
Scripta Materialia 69 (8), 594-597, 2013
362013
Reactivity of metal oxide nanocluster modified rutile and anatase TiO2: Oxygen vacancy formation and CO2 interaction
M Fronzi, W Daly, M Nolan
Applied Catalysis A: General 521, 240-249, 2016
272016
Metal oxide nanocluster-modified TiO2 as solar activated photocatalyst materials
M Fronzi, A Iwaszuk, A Lucid, M Nolan
Journal of Physics: Condensed Matter 28 (7), 074006, 2016
242016
Ab initio investigation of defect formation at ZrO 2-CeO 2 interfaces
M Fronzi, S Cereda, Y Tateyama, A De Vita, E Traversa
Physical Review B 86 (8), 085407, 2012
172012
Efficiency Enhancement of Single‐Walled Carbon Nanotube‐Silicon Heterojunction Solar Cells Using Microwave‐Exfoliated Few‐Layer Black Phosphorus
M Bat‐Erdene, M Batmunkh, SA Tawfik, M Fronzi, MJ Ford, CJ Shearer, ...
Advanced Functional Materials 27 (48), 1704488, 2017
142017
CH x adsorption (x= 1–4) and thermodynamic stability on the CeO 2 (111) surface: a first-principles investigation
M Fronzi, S Piccinin, B Delley, E Traversa, C Stampfl
Rsc Advances 4 (24), 12245-12251, 2014
142014
Growth mechanisms of ceria-and zirconia-based epitaxial thin films and hetero-structures grown by pulsed laser deposition
D Pergolesi, M Fronzi, E Fabbri, A Tebano, E Traversa
Materials for Renewable and Sustainable Energy 2 (1), 6, 2013
122013
Length-dependent resistance model for a single-wall carbon nanotube
AD Arulsamy, M Fronzi
Physica E: Low-dimensional Systems and Nanostructures 41 (1), 74-79, 2008
102008
Atomistic investigation of vacancy assisted diffusion mechanism in Mg ternary (Mg–RE–M) alloys
M Fronzi, H Kimizuka, S Ogata
Computational Materials Science 98, 76-82, 2015
82015
Surface Modification of Perfect and Hydroxylated TiO2 Rutile (110) and Anatase (101) with Chromium Oxide Nanoclusters
M Fronzi, M Nolan
ACS Omega 2 (10), 6795–6808, 2017
72017
Deterministic nanopatterning of diamond using electron beams
J Bishop, M Fronzi, C Elbadawi, V Nikam, J Pritchard, JE Fröch, ...
ACS nano 12 (3), 2873-2882, 2018
62018
Stability of Adsorbed Water on TiO2–TiN Interfaces. A First-Principles and Ab Initio Thermodynamics Investigation
JJ Gutiérrez Moreno, M Fronzi, P Lovera, A O’Riordan, M Nolan
The Journal of Physical Chemistry C 122 (27), 15395-15408, 2018
42018
First-principles molecular dynamics simulations of proton diffusion in cubic BaZrO $$ _ $$ perovskite under strain conditions
M Fronzi, Y Tateyama, N Marzari, M Nolan, E Traversa
Materials for Renewable and Sustainable Energy 5 (4), 14, 2016
42016
Theoretical insights into the hydrophobicity of low index CeO2 surfaces
M Fronzi, MHN Assadi, DAH Hanaor
Applied Surface Science 478, 68-74, 2019
32019
Magnetic properties of stoichiometric and defective Co 9 S 8
M Fronzi, SA Tawfik, C Stampfl, MJ Ford
Physical Chemistry Chemical Physics 20 (4), 2356-2362, 2018
22018
How do we interrogate the electrons without roughing them up?
AD Arulsamy, M Fronzi
arXiv preprint arXiv:0808.3675, 2008
12008
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Articles 1–20