- idUS
- Investigación
- Ciencias
- Química Física
- Artículos (Química Física)
- Listar Artículos (Química Física) por autor
Listar Artículos (Química Física) por autor "San Miguel Barrera, Miguel Ángel"
Mostrando ítems 1-6 de 6
-
Artículo
Influence of temperature on the interaction between Pd clusters and the TiO2 (110) surface
San Miguel Barrera, Miguel Ángel; Oviedo López, Jaime; Fernández Sanz, Javier (American Physical Review, 2007-08-06)The behavior of a Pd nanocluster on the rutile TiO2 (110) surface has been analyzed by extensive first principles molecular ...
-
Artículo
Molecular modification of coumarin dyes for more efficient dye sensitized solar cells
Sánchez de Armas, María Rocío; San Miguel Barrera, Miguel Ángel; Oviedo López, Jaime; Fernández Sanz, Javier (AIP Publishing, 2012-05)In this work, new coumarin based dyes for dye sensitized solar cells (DSSC) have been designed by introducing several ...
-
Artículo
Molecular-dynamics simulations of liquid aluminum oxide
San Miguel Barrera, Miguel Ángel; Fernández Sanz, Javier; Álvarez, Luis Javier; Odriozola Gordón, José Antonio (American Physical Society, 1998)The total and partial radial distribution functions g(r) and the corresponding structure factors S(q) were calculated based ...
-
Artículo
Molecular-dynamics simulations of premelting processes in Cr2O3
San Miguel Barrera, Miguel Ángel; Fernández Sanz, Javier; Álvarez, Luis Javier; Odriozola Gordón, José Antonio (American Physical Society, 1998)Molecular-dynamics simulations of the (0001) surface Of Cr2O3 were carried out in the [300-2800 K] range of temperatures ...
-
Artículo
Oxygen vacancies on TiO2 (110) from first principles calculations
Oviedo López, Jaime; San Miguel Barrera, Miguel Ángel; Fernández Sanz, Javier (AIP Publishing, 2004-10)We have carried out a systematic study of oxygen vacancy formation on the TiO2 ~110! surface by means of plane-wave ...
-
Artículo
Unveiling the origin of oxygen atomic impurities in Au nanowires
Nascimiento, A.P.F.; San Miguel Barrera, Miguel Ángel; Da Silva, E.Z. (American Physical Society, 2014)The appearance of unusually large Au-Au bond distances in linear atomic chains (LACs) of Au nanowires is commonly attributed ...