Zobrazeno 1 - 10
of 99
pro vyhledávání: '"Heriberto Fabio Busnengo"'
Publikováno v:
The Journal of Physical Chemistry C. 125:11904-11915
Autor:
M. E. Torio, Heriberto Fabio Busnengo
Publikováno v:
The Journal of Physical Chemistry C. 124:19649-19654
Through density functional theory (DFT) calculations, we show that, in contrast to terrace sites of Pt(211) and Pt(111), on steplike sites of Pt(211) and Pt(110)-(2 × 1), methylene is more stable t...
Autor:
Alejandro, Rivero Santamaría, Maximiliano, Ramos, Maite, Alducin, Heriberto Fabio, Busnengo, Ricardo, Díez Muiño, J Iñaki, Juaristi
Publikováno v:
The journal of physical chemistry. A. 125(12)
A high dimensional and accurate atomistic neural network potential energy surface (ANN-PES) that describes the interaction between one O
Publikováno v:
Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
instname
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The dissociative adsorption of molecular oxygen on metal surfaces has long been controversial, mostly due to the spin-triplet nature of its ground state, to possible non-adiabatic effects, such as an abrupt charge transfer from the metal to the molec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e02c6ae86444df4a32a3c929089d01f
http://hdl.handle.net/20.500.12614/2591
http://hdl.handle.net/20.500.12614/2591
Autor:
Ricardo Díez Muiño, Alejandro Rivero Santamaría, Heriberto Fabio Busnengo, J. Iñaki Juaristi, Maite Alducin, M. Ramos
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
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A high dimensional and accurate atomistic neural network potential energy surface (ANN-PES) that describes the interaction between one O2 molecule and a highly oriented pyrolytic graphite (HOPG) surface has been constructed using the open-source pack
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc10f142a159cd92fc43f878d9a5cac1
http://hdl.handle.net/10261/258616
http://hdl.handle.net/10261/258616
Autor:
Frederik Haase, Rico Gutzler, Bettina V. Lotsch, Juan Manuel Lombardi, Klaus Kern, Doris Grumelli, Patrick Alexa, Heriberto Fabio Busnengo, P. N. Abufager, Vijay S. Vyas
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Angewandte Chemie International Edition
Angewandte Chemie (International Ed. in English)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Angewandte Chemie International Edition
Angewandte Chemie (International Ed. in English)
The electrochemical splitting of water holds promise for the storage of energy produced intermittently by renewable energy sources. The evolution of hydrogen currently relies on the use of platinum as a catalyst—which is scarce and expensive—and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::612601f435f5b41506683c58f7fdda18
http://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC7317855&blobtype=pdf
http://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC7317855&blobtype=pdf
Publikováno v:
Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
instname
instname
The reaction of diatomic molecules on bimetallic surfaces, formed by one to few monolayers of a metal adsorbed on a different metal substrate, is relevant to understand the role of surface strain and substrate chemical binding in catalysis, which is
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Adsorption dynamics of N2 on the W(100) surface is studied by means of quasi-classical trajectories making use of a six-dimensional potential energy surface obtained from density functional theory calculations. In our simulations, van der Waals (vdW)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4156c4ec11ad1e60b4e90930b791322f
http://hdl.handle.net/10261/203511
http://hdl.handle.net/10261/203511
Autor:
Rico Gutzler, Sebastian Stepanow, Pietro Gambardella, Markus Etzkorn, P. N. Abufager, Klaus Kern, Claudius Morchutt, Diana Hötger, Patrick Alexa, Jan Dreiser, Heriberto Fabio Busnengo, Doris Grumelli
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Nanoscale, 10 (45)
SEDICI (UNLP)
Universidad Nacional de La Plata
instacron:UNLP
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Nanoscale, 10 (45)
SEDICI (UNLP)
Universidad Nacional de La Plata
instacron:UNLP
Increasing the complexity of 2D metal–organic networks has led to the fabrication of structures with interesting magnetic and catalytic properties. However, increasing complexity by providing different coordination environments for different metal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3fe97cc43c098a8868cef97beb2d3029
https://ri.conicet.gov.ar/11336/88569
https://ri.conicet.gov.ar/11336/88569
Autor:
Pablo G. Lustemberg, Adrian Lionel Bonivardi, Maria Veronica Ganduglia-Pirovano, Heriberto Fabio Busnengo, M. V. Bosco
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Trabajo presentado en el 6th Workshop on Novel Methods for Electronic Structure Calculations, celebrado en La Plata (Argentina) del 12 al 14 de noviembre de 2015.
Formation of formate species on oxide surfaces plays a role in reactions for hydro
Formation of formate species on oxide surfaces plays a role in reactions for hydro