Umberto Martinez

Materials Science · Physical Sciences

23h-index3.4kcitations39works0.02yr avg
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Research Topics

Catalytic Processes in Materials Science(21), Advanced Chemical Physics Studies(10), Surface and Thin Film Phenomena(10), Electronic and Structural Properties of Oxides(9), TiO2 Photocatalysis and Solar Cells(6)

Publications39 total

Ab initio LCAO hybrid density-functional method for accurate, large-scale electronic structure simulations of semiconductor materials, interfaces and gate stacks
2021· 1 cited
Atomistic modeling of energy band alignment in CdTe(1 0 0) and CdTe(1 1 1) surfaces
Applied Surface Science·2020· 11 citedOpen Access
QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
Journal of Physics Condensed Matter·2019· 1.8k citedOpen Access
Atomistic approach for modeling metal-semiconductor interfaces
2016
General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function
Physical review. B./Physical review. B·2016· 193 citedOpen Access
Unravelling Site-Specific Photo-Reactions of Ethanol on Rutile TiO2(110)
Scientific Reports·2016· 53 citedOpen Access
Effect of Sb Segregation on Conductance and Catalytic Activity at Pt/Sb-Doped SnO<sub>2</sub>Interface: A Synergetic Computational and Experimental Study
ACS Applied Materials & Interfaces·2015· 20 cited
First-principles simulations of nanoscale transistors
2015· 5 cited
Atomic-Scale View on the H<sub>2</sub>O Formation Reaction from H<sub>2</sub> on O-Rich RuO<sub>2</sub>(110)
The Journal of Physical Chemistry C·2014· 12 cited
Interaction of H 2 with stoichiometric and O-rich RuO 2 (110) surfaces
APS March Meeting Abstracts·2014
A density functional theory study of atomic steps on stoichiometric rutile TiO2(110)
The Journal of Chemical Physics·2013· 12 cited
Modeling Methyl Chloride Photo Oxidation by Oxygen Species on TiO2(110)
Topics in Catalysis·2013· 6 cited
Formation of metastable, heterolytic H-pairs on the RuO2(110) surface
Surface Science·2013· 22 cited
Role of Steps in the Dissociative Adsorption of Water on Rutile<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>TiO</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mn>110</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math>
Physical Review Letters·2013· 70 cited
Reduced Step Edges on Rutile<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>TiO</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mn>110</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math>as Competing Defects to Oxygen Vacancies on the Terraces and Reactive Sites for Ethanol Dissociation
Physical Review Letters·2012· 43 cited
Ethanol Diffusion on Rutile TiO<sub>2</sub>(110) Mediated by H Adatoms
The Journal of Physical Chemistry Letters·2012· 39 cited
Steps on rutile TiO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math>(110): Active sites for water and methanol dissociation
Physical Review B·2011· 73 citedOpen Access
Direct Evidence for Ethanol Dissociation on Rutile<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>TiO</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mn>110</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math>
Physical Review Letters·2011· 61 cited
Strain-induced formation of ultrathin mixed-oxide films
Physical Review B·2011· 39 citedOpen Access
Adsorption properties versus oxidation states of rutile TiO2(110)
The Journal of Chemical Physics·2011· 37 cited
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Frequent Co-authors

Gianfranco Pacchioni(18), Livia Giordano(15), Hans‐Joachim Freund(10), Bjørk Hammer(9), Flemming Besenbacher(8), Stefan Wendt(8), Niklas Nilius(8), Yinying Wei(7), Anders Blom(5), Henrik H. Kristoffersen(5), Jonas Ø. Hansen(5), Kurt Stokbro(4), Erik Lægsgaard(4), Estephanía Lira(4), L. Lammich(4), Stefan Ulrich(4), Mads Brandbyge(3), R. Streber(3), Peipei Huo(3), Søren Smidstrup(2)