Ethanol Diffusion on Rutile TiO2(110) Mediated by H Adatoms.
Peipei Huo , Jonas Ø Hansen , Umberto Martinez , Estephania Lira
Journal of Physical Chemistry Letters 3 ( 3) 283 -288
27
2012
Atomistic modeling of energy band alignment in CdTe(1 0 0) and CdTe(1 1 1) surfaces
Anthony P. Nicholson , Umberto Martinez , Akash Shah , Aanand Thiyagarajan
Applied Surface Science 528 146832
3
2020
Direct Measurement of the Attractive Interaction Forces on F0 Color Centers on MgO(001) by Dynamic Force Microscopy
Thomas König , Georg H. Simon , Umberto Martinez , Livia Giordano
ACS Nano 4 ( 5) 2510 -2514
25
2010
Modifying the adsorption characteristic of inert silica films by inserting anchoring sites.
Stefan Ulrich , Niklas Nilius , Hans-Joachim Freund , Umberto Martinez
Physical Review Letters 102 ( 1) 016102-1 -016102-4
26
2009
General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function
Daniele Stradi , Umberto Martinez , Anders Blom , Mads Brandbyge
Physical Review B 93 ( 15) 155302
77
2016
Stabilizing Monomeric Iron Species in a Porous Silica/Mo(112) Film
Jan-Frederik Jerratsch , Niklas Nilius , Dinesh Topwal , Umberto Martinez
ACS Nano 4 ( 2) 863 -868
8
2010
Interaction of CO, CO2 and CH4 with mesoporous organosilica: Periodic DFT calculations with dispersion corrections
Umberto Martinez , Gianfranco Pacchioni
Microporous and Mesoporous Materials 129 ( 1) 62 -67
25
2010
Tailoring the interaction strength between gold particles and silica thin films via work function control.
Umberto Martinez , Jan-Frederik Jerratsch , Niklas Nilius , Livia Giordano
Physical Review Letters 103 ( 5) 056801-1 -056801-4
32
2009
Enhanced magnetic moments of Fe clusters supported on MgO/Fe(001) ultrathin films
Umberto Martinez , Gianfranco Pacchioni , Francesc Illas
The Journal of Chemical Physics 130 ( 18) 184711 -184711
8
2009
Atomic-Scale View on the H2O Formation Reaction from H2 on O-Rich RuO2(110)
Yinying Wei , Umberto Martinez , Lutz Lammich , Flemming Besenbacher
Journal of Physical Chemistry C 118 ( 48) 27989 -27997
11
2014
Effect of Sb Segregation on Conductance and Catalytic Activity at Pt/Sb-Doped SnO2 Interface: A Synergetic Computational and Experimental Study.
Qiang Fu , Luis César Colmenares Rausseo , Umberto Martinez , Paul Inge Dahl
ACS Applied Materials & Interfaces 7 ( 50) 27782 -27795
9
2015
Tuning the work function of ultrathin oxide films on metals by adsorption of alkali atoms
Umberto Martinez , Livia Giordano , Gianfranco Pacchioni
Journal of Chemical Physics 128 ( 16) 164707 -164707
41
2008
Realization of an atomic sieve: Silica on Mo(112)
Stefan Ulrich , Niklas Nilius , Hans-Joachim Freund , Umberto Martinez
Surface Science 603 ( 8) 1145 -1149
21
2009
Atomistic approach for modeling metal-semiconductor interfaces
Daniele Stradi , Umberto Martinez , Anders Blom , Mads Brandbyge
international conference on nanotechnology 895 -898
2016
Ab initio LCAO hybrid density-functional method for accurate, large-scale electronic structure simulations of semiconductor materials, interfaces and gate stacks
Petr A Khomyakov , Jess Wellendorff , Mattias Palsgaard , Tue Gunst
2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) 124 -127
3
2021
A Density Functional Theory Study of Atomic Steps on Stoichiometric Rutile TiO2(110)
Jess Stausholm-Møller , Henrik Høgh Kristoffersen , Umberto Martinez , Bjørk Hammer
J. Chem. Phys. 139 ( 23) 234704 -234704
12
2013
Modeling interfaces and surfaces using density functional theory and nonequilibrium Green's function method
Umberto Martinez
Direct Evidence for Ethanol Dissociation on Rutile TiO 2 ( 110 )
J. Ø. Hansen , P. Huo , U. Martinez , E. Lira
Physical Review Letters 107 ( 13) 136102
46
2011
Role of Steps in the Dissociative Adsorption of Water on Rutile TiO 2 ( 110 )
H. H. Kristoffersen , J. Ø. Hansen , U. Martinez , Y. Y. Wei
Physical Review Letters 110 ( 14) 146101
50
2013
Reduced Step Edges on Rutile TiO 2 ( 110 ) as Competing Defects to Oxygen Vacancies on the Terraces and Reactive Sites for Ethanol Dissociation
U. Martinez , J. Ø. Hansen , E. Lira , H. H. Kristoffersen
Physical Review Letters 109 ( 15) 155501
41
2012