Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | 2014 | Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111) | Kroes, Geert-Jan; Pavanello, Michele; Blanco-Rey, María CSIC ORCID; Auerbach, Daniel J.; Alducin Ochoa, Maite CSIC ORCID | artículo |
closedAccess | | 2013 | Adiabatic energy loss in hyperthermal H atom collisions with Cu and Au: A basis for testing the importance of nonadiabatic energy loss | Pavanello, Michele; Auerbach, Daniel J.; Wodtke, Alec M.; Blanco-Rey, María CSIC ORCID; Kroes, Geert-Jan | artículo |
closedAccess | | 2013 | Effect of transition metal dopants on initial mass transport in the dehydrogenation of NaAlH4: Density functional theory study | Marashdeh, Ali; Versluis Jan-Willem I.; Valdés, Álvaro CSIC ORCID; Olsen, Roar A.; Lovvik, Ole Martin; Kroes, Geert-Jan | artículo |
openAccess | | 2014 | Electronic friction dominates hydrogen hot-atom relaxation on Pd(100) | Blanco-Rey, María CSIC ORCID; Juaristi Oliden, Joseba Iñaki CSIC ORCID; Díez Muiño, Ricardo CSIC ORCID ; Busnengo, Heriberto Fabio; Kroes, Geert-Jan; Alducin Ochoa, Maite CSIC ORCID | artículo |
openAccess | | 2016 | Modeling surface motion effects in N2 dissociation on W(110): Ab initio molecular dynamics calculations and generalized Langevin oscillator model | Nattino, Francesco; Galparsoro, Oihana; Costanzo, Francesca CSIC ORCID; Díez Muiño, Ricardo CSIC ORCID ; Alducin Ochoa, Maite CSIC ORCID ; Kroes, Geert-Jan | artículo |
closedAccess | | 2006 | Reactive and nonreactive scattering of H2 from a metal surface is electronically adiabatic | Nieto, Pablo; Pijper, Ernst; Barredo, Daniel CSIC ORCID; Laurent, Guillaume; Olsen, Roar A.; Baerends, Evert-Jan; Kroes, Geert-Jan; Farías, Daniel | artículo |
openAccess | | 2019 | Reactive and nonreactive scattering of HCl from Au(111): An Ab initio molecular dynamics study | Füchsel, Gernot; Zhou, Xueyao; Jiang, Bin; Juaristi Oliden, Joseba Iñaki CSIC ORCID; Alducin Ochoa, Maite CSIC ORCID ; Guo, Hua; Kroes, Geert-Jan | artículo |
closedAccess | | 2012 | Solar hydrogen production with semiconductor metal oxides: New directions in experiment and theory | Valdés, Álvaro CSIC ORCID; Brillet, Jeremie; Grätzel, Michael; Gudmundsdóttir, Hildur; Hansen, Heine A.; Jónsson, Hannes; Klüpfel, Peter; Kroes, Geert-Jan; Formal, Florian Le; Man, Isabela C.; Martins, Rafael S.; Nørskov, Jens K.; Rossmeisl, Jan; Sivula, Kevin; Vojvodic, Aleksandra; Zäch, Michael | artículo |
closedAccess | | 2012 | Theoretical investigation of two H 2 molecules inside the cages of the structure H clathrate hydrate | Valdés, Álvaro CSIC ORCID; Kroes, Geert-Jan | artículo |
openAccess | | 2012 | Vibrational deexcitation and rotational excitation of H 2 and D 2 scattered from Cu(111): Adiabatic versus non-adiabatic dynamics | Muzas, A. S. CSIC ORCID; Juaristi Oliden, Joseba Iñaki CSIC ORCID; Alducin Ochoa, Maite CSIC ORCID ; Díez Muiño, Ricardo CSIC ORCID ; Kroes, Geert-Jan; Díaz, Cristina | artículo |
openAccess | | 2017 | Vibrational excitation of H2 scattering from Cu(111): Effects of surface temperature and of allowing energy exchange with the surface | Kroes, Geert-Jan; Juaristi Oliden, Joseba Iñaki CSIC ORCID; Alducin Ochoa, Maite CSIC ORCID | artículo |