Zobrazeno 1 - 10
of 42
pro vyhledávání: '"Estefania German"'
Autor:
Estefania German, Ralph Gebauer
Publikováno v:
Molecules, Vol 28, Iss 13, p 5182 (2023)
Density functional theory (DFT) calculations are employed to study the oxygen evolution reaction (OER) on the edges of stripes of monolayer molybdenum disulfide. Experimentally, this material has been shown to evolve oxygen, albeit with low efficienc
Externí odkaz:
https://doaj.org/article/ca15ed15c55042ea8aa90d430294068f
Autor:
Gebauer, Estefania German, Ralph
Publikováno v:
Molecules; Volume 28; Issue 13; Pages: 5182
Density functional theory (DFT) calculations are employed to study the oxygen evolution reaction (OER) on the edges of stripes of monolayer molybdenum disulfide. Experimentally, this material has been shown to evolve oxygen, albeit with low efficienc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=multidiscipl::ce8c4eedfcb9758cab7450bbb40cf6cf
Autor:
Estefania German, Johanna Sandoval, Adrián Recio, Abdolvahab Seif, Julio A. Alonso, María J. López
Producción Científica
Adsorption of hydrogen on graphdiyne (GDY) and boron-graphdiyne (BGDY) doped with palladium clusters has been investigated by performing density functional calculations. Pd6 fits well on the large holes of those porous la
Adsorption of hydrogen on graphdiyne (GDY) and boron-graphdiyne (BGDY) doped with palladium clusters has been investigated by performing density functional calculations. Pd6 fits well on the large holes of those porous la
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ae2f0a13c8d153cc6baa2b8cfe0f622
https://doi.org/10.1021/acs.chemmater.2c03106
https://doi.org/10.1021/acs.chemmater.2c03106
Autor:
Estefania German, Gao-Lei Hou, Jan Vanbuel, Joost M. Bakker, Julio A. Alonso, Ewald Janssens, María J. López
Publikováno v:
Carbon, 197, pp. 535-543
UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
Carbon, 197, 535-543
UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
Carbon, 197, 535-543
Producción Científica
Metal clusters supported on carbonaceous substrates are of interest in catalysis, hydrogen storage, and other fields. In this paper, the structures and the infrared spectra of C60Rhn+ (n = 1–6) fullerene-metal complexes
Metal clusters supported on carbonaceous substrates are of interest in catalysis, hydrogen storage, and other fields. In this paper, the structures and the infrared spectra of C60Rhn+ (n = 1–6) fullerene-metal complexes
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf406cd676462997a967ca7b363fea06
https://hdl.handle.net/https://repository.ubn.ru.nl/handle/2066/283229
https://hdl.handle.net/https://repository.ubn.ru.nl/handle/2066/283229
An active line of contemporary research is dedicated to the adsorption and storage of hydrogen on metal-doped carbon materials. Using density functional theory and van der Waals corrections we have studied molecular and dissociative adsorption of H2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd077afa861c9ff923bc5d603dd68c87
https://lirias.kuleuven.be/handle/123456789/678866
https://lirias.kuleuven.be/handle/123456789/678866
Publikováno v:
Theoretical Chemistry Accounts. 140
Doping porous carbons with palladium nanoparticles is known to enhance the hydrogen storage capacity of these materials. Alloying palladium with the non-expensive metal copper will reduce the cost of the nanoparticles. We have studied how alloying wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ed375bb8b84187cc246f8ffe79c811fc
https://doi.org/10.1007/s00214-021-02737-w
https://doi.org/10.1007/s00214-021-02737-w
Publikováno v:
The journal of physical chemistry. A. 124(32)
Ag and Co metals do not form macroscopic solid or liquid alloys. However, AgmCon clusters have been produced in dual-target dual-laser vaporization experiments, and the same occurs for other pairs of immiscible metals. We have performed density funct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c3c5b15a7d292faf174d0254329733f9
https://pubmed.ncbi.nlm.nih.gov/32668160
https://pubmed.ncbi.nlm.nih.gov/32668160
Autor:
Estefania German, Koen Veys, María J. López, Jan Vanbuel, Janni Moens, Julio A. Alonso, Guillaume Libeert, Ewald Janssens
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
The adsorption of molecular deuterium (D2) onto charged cobalt-fullerene-complexes ConC60 + (n=1–8) is measured experimentally in a few-collision reaction cell. The reactivity is strongly size-dependent, hinting at clustering of the transition meta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5567786da79c578bdcf378187737ef9
Wiley Online Library
Wiley Online Library
Autor:
Mariano Romero, Fernando Pignanelli, Estefania German, André A. Pasa, Milton A. Tumelero, Luciana Fernández-Werner, Dominique Mombrú, Ricardo Faccio, Alvaro W. Mombrú
Publikováno v:
Materials Research Bulletin. 106:40-48
The existent research literature of Dye Sensitized Solar Cells (DSSC) is mainly focused on the dye but there are very few studies focused in the semiconductor. Here, we present the performance of hydrogen titanate nanotubes (HTNT), showing an enhance
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ed1524218eef0c7604fc2adee10d19e
https://doi.org/10.1016/j.materresbull.2018.05.029
https://doi.org/10.1016/j.materresbull.2018.05.029
Publikováno v:
Applied Surface Science. 428:118-123
The structural and electronic properties of several TiO 2 polymorphs and hydrogen titanate surfaces are modeled and studied by density functional theory (DFT). By implementing the Hubbard parameter “U” in our calculations more realistic results o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7679e030f422dfdc51c647ebe031d619
https://doi.org/10.1016/j.apsusc.2017.09.141
https://doi.org/10.1016/j.apsusc.2017.09.141