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 | 154 | 2011 |
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 | 69 | 2017 |
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 | 68 | 2012 |
Tight-binding study of hydrogen adsorption on palladium decorated graphene and carbon nanotubes I López-Corral, E Germán, MA Volpe, GP Brizuela, A Juan International journal of hydrogen energy 35 (6), 2377-2384, 2010 | 65 | 2010 |
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 | 56 | 2018 |
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 | 55 | 2016 |
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 | 50 | 2014 |
Why are MoS2 monolayers not a good catalyst for the oxygen evolution reaction? E German, R Gebauer Applied Surface Science 528, 146591, 2020 | 45 | 2020 |
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 | 44 | 2019 |
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 | 40 | 2015 |
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 | 25 | 2017 |
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 | 22 | 2018 |
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 | 22 | 2014 |
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 | 20 | 2014 |
Density functional study of acrolein adsorption on Pt (111) S Pirillo, I López-Corral, E German, A Juan Vacuum 99, 259-264, 2014 | 20 | 2014 |
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 | 17 | 2011 |
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 | 16 | 2014 |
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 | 15 | 2020 |
On the perfect MgH2 (–Nb,–Zr) systems and the influence of vacancy-like defects on their structural properties. A self-consistent first principle calculations study of the … CR Luna, E German, C Macchi, A Juan, A Somoza Journal of alloys and compounds 556, 188-197, 2013 | 12 | 2013 |
Adsorption of ammonia on vanadium–antimony mixed oxides H Seitz, E Germán, A Juan, B Irigoyen Applied surface science 258 (8), 3617-3623, 2012 | 12 | 2012 |