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Estefania German
Estefania German
Departamento de Física Teórica, Atómica y Óptica, Facultad de Ciencias, Universidad de Valladolid
Adresse e-mail validée de uva.es
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DFT study of hydrogen adsorption on palladium decorated graphene
I López-Corral, E Germán, A Juan, MA Volpe, GP Brizuela
The Journal of Physical Chemistry C 115 (10), 4315-4323, 2011
1452011
Hydrogen adsorption on palladium dimer decorated graphene: a bonding study
I Lopez-Corral, E Germán, A Juan, MA Volpe, GP Brizuela
international journal of hydrogen energy 37 (8), 6653-6665, 2012
662012
Tight-binding study of hydrogen adsorption on palladium decorated graphene and carbon nanotubes
I López-Corral, E German, MA Volpe, GP Brizuela, A Juan
International journal of hydrogen energy 35 (6), 2377-2384, 2010
622010
A DFT + U study on structural, electronic, vibrational and thermodynamic properties of TiO2 polymorphs and hydrogen titanate: tuning the Hubbard ‘U-term’
E German, R Faccio, A Mombru
Journal of Physics Communication 55006 (1), 1-10, 2017
562017
Comparison of standard DFT and Hubbard-DFT methods in structural and electronic properties of TiO2 polymorphs and H-titanate ultrathin sheets for DSSC application
E German, R Faccio, AW Mombru
applied surface science 428, 118-123, 2018
522018
Improvement of Hydrogen Vacancy Diffusion Kinetics in MgH2 by Niobium- and Zirconium-Doping for Hydrogen Storage Applications
E German, R Gebauer
The Journal of Physical Chemistry C 120 (9), 4806-4812, 2016
512016
Theoretical study of hydrogen adsorption on Ru-decorated (8, 0) single-walled carbon nanotube
V Verdinelli, E German, CR Luna, JM Marchetti, MA Volpe, A Juan
The Journal of Physical Chemistry C 118 (48), 27672-27680, 2014
462014
Hydrogen adsorption and associated electronic and magnetic properties of Rh-decorated (8, 0) carbon nanotubes using density functional theory
CR Luna, V Verdinelli, E German, H Seitz, MA Volpe, C Pistonesi, ...
The Journal of Physical Chemistry C 119 (23), 13238-13247, 2015
392015
Ruthenium decorated single walled carbon nanotube for molecular hydrogen storage: A first-principle study
V Verdinelli, A Juan, E German
International Journal of Hydrogen Energy 44 (16), 8376-8383, 2019
372019
Why are MoS2 monolayers not a good catalyst for the oxygen evolution reaction?
E German, R Gebauer
Applied Surface Science 528, 146591, 2020
342020
Theoretical study of new potential semiconductor surfaces performance for dye sensitized solar cell usage: TiO2-B (001),(100) and H2Ti3O7 (100)
E German, R Faccio, ÁW Mombrú
Applied Surface Science 426, 1182-1189, 2017
252017
A Theoretical Study of the Effect of Zr-, Nb-Doped and Vacancy-like Defects on H Desorption on MgH2 (110) Surface
E German, V Verdinelli, CR Luna, A Juan, D Sholl
The Journal of Physical Chemistry C 118 (8), 4231-4237, 2014
202014
Hydrogen titanate nanotubes for dye sensitized solar cells applications: Experimental and theoretical study
F Pignanelli, L Fernández-Werner, M Romero, D Mombrú, MA Tumelero, ...
Materials Research Bulletin 106, 40-48, 2018
182018
A DFT study of dopant (Zr, Nb) and vacancies on the dehydrogenation on MgH2 (001) surface
E German, C Luna, J Marchetti, P Jasen, C Macchi, A Juan
international journal of hydrogen energy 39 (4), 1732-1739, 2014
182014
Density functional study of acrolein adsorption on Pt (111)
S Pirillo, I López-Corral, E German, A Juan
Vacuum 99, 259-264, 2014
182014
Theoretical and experimental studies on the adsorption of intercalant dyes on anatase and rutile
CE Zubieta, E Germán, IL Corral, A Juan, PC Schulz, PV Messina, ...
Colloids and Surfaces A: Physicochemical and Engineering Aspects 386 (1-3 …, 2011
172011
Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2 (110) surfaces
A Robina, E German, ME Pronsato, A Juan, I Matolínová, V Matolín
Vacuum 106, 86-93, 2014
152014
Nanoalloys of metals which do not form bulk alloys: The case of Ag–Co
P Marín, JA Alonso, E Germán, MJ López
The Journal of Physical Chemistry A 124 (32), 6468-6477, 2020
142020
c-C5H5 on a Ni (1 1 1) surface: theoretical study of the adsorption, electronic structure and bonding
E German, S Simonetti, E Pronsato, A Juan, G Brizuela
Applied surface science 254 (18), 5831-5836, 2008
122008
The adsorption of acrolein on a Pt (1 1 1): A study of chemical bonding and electronic structure
S Pirillo, I López-Corral, E Germán, A Juan
Applied surface science 263, 79-85, 2012
102012
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