Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Juaristi Oliden, Joseba Iñaki"'
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Two-dimensional transition-metal dichalcogenides appear as good candidates for gas sensing and catalysis. Here, by means of density functional theory, we characterize the adsorption and dissociation of selected diatomic molecules (CO, H2, O2, and NO)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::d096b9ce156e26bc8230d46084f10d4b
http://hdl.handle.net/10261/275108
http://hdl.handle.net/10261/275108
Autor:
Novko, Dino, Tremblay, J. C., Lončarić, Ivor, Alducin Ochoa, Maite, Juaristi Oliden, Joseba Iñaki
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Resumen del trabajo presentado al 2nd CECAM Workshop: "Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and nonadiabatic processes", celebrado en Toulouse (France) del 27 al 30 de septiembre d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::ffa30fdcd9c880e4169b6d937f474c6f
http://hdl.handle.net/10261/263944
http://hdl.handle.net/10261/263944
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Resumen del trabajo presentado al APS March Meeting, celebrado de forma virtual del 13 al 19 de marzo de 2021.
The oxidation of carbon monoxide (CO) on different transition metal surfaces, including ruthenium, is a benchmarkreaction for theoreti
The oxidation of carbon monoxide (CO) on different transition metal surfaces, including ruthenium, is a benchmarkreaction for theoreti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::9ae5805df5d6f85493d45605c8579f52
http://hdl.handle.net/10261/263956
http://hdl.handle.net/10261/263956
Photochemistry and spectroscopy of molecules at surfaces: Insights from ab initio molecular dynamics
Autor:
Alducin Ochoa, Maite, Floß, Gereon, Füchsel, Gernot, Juaristi Oliden, Joseba Iñaki, Lindner, Steven, Lončarić, Ivor, Melani, G., Nagata, Yuuya, Scholz, Robert, Titov, E., Saalfrank, Peter
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Resumen del trabajo presentado al 2nd CECAM Workshop: "Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and nonadiabatic processes", celebrado en Toulouse (France) del 27 al 30 de septiembre d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::283fe1172b1290158141163b1e6ed441
http://hdl.handle.net/10261/263947
http://hdl.handle.net/10261/263947
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Trabajo presentado al Nanophotonics of 2D Materials (N2D), celebrado en el Centro de Ciencia de Benasque Pedro Pascual del 7 al 13 de noviembre de 2021.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::95e4e52bbb2b3c70d548f954ae5e1b75
http://hdl.handle.net/10261/264068
http://hdl.handle.net/10261/264068
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Resumen del póster presentado al CECAM workshop “Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes”, celebrado en Albi (Francia) del 26 al 29 de junio de 2017.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::0661647c12693bf1e90406997e23bc75
http://hdl.handle.net/10261/178675
http://hdl.handle.net/10261/178675
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Resumen del trabajo presentado al CECAM workshop “Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes”, celebrado en Albi (Francia) del 26 al 29 de junio de 2017.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::52cb6a30dfa505a19a321e5cddf8b7bb
http://hdl.handle.net/10261/178678
http://hdl.handle.net/10261/178678
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
We perform ab initio molecular dynamics simulations to study the femtosecond laser induced desorption of H2,D2, and HD from a H:D-saturated Ru(0001) surface. To this aim we have extended the ab initio molecular dynamics with electronic friction (AIMD
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::fc3f70aa11323f74aba5fdb52faed33a
http://hdl.handle.net/10261/176673
http://hdl.handle.net/10261/176673
Autor:
Galparsoro, Oihana, Pétuya, Rémi, Busnengo, Heriberto Fabio, Juaristi Oliden, Joseba Iñaki, Crespos, Cédric, Alducin Ochoa, Maite, Larregaray, Pascal
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Resumen del trabajo presentado al CECAM workshop “Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes”, celebrado en Albi (Francia) del 26 al 29 de junio de 2017.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::b6ad59f018cb6671063e09f8eac6962b
http://hdl.handle.net/10261/178681
http://hdl.handle.net/10261/178681
Autor:
Galparsoro, Oihana, Juaristi Oliden, Joseba Iñaki, Crespos, Cédric, Alducin Ochoa, Maite, Larregaray, Pascal
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Resumen del póster presentado al CECAM workshop “Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes”, celebrado en Albi (Francia) del 26 al 29 de junio de 2017.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::597297ce6f8d7090fbb566e9055b821c
http://hdl.handle.net/10261/178671
http://hdl.handle.net/10261/178671