Zobrazeno 1 - 10
of 62
pro vyhledávání: '"Caldas, M. J."'
Thiophene oligomers are an important class of organic materials for photovoltaic applications, owing to their unique optoelectronic properties. Recently it was suggested that incorporation of furan units to the thiophene chains, maintaining the chain
Externí odkaz:
http://arxiv.org/abs/2110.15414
Autor:
Valencia, A. M., Caldas, M. J.
Magnetic properties of a single vacancy in graphene is a relevant and still unsolved problem. The experimental results point to a clearly detectable magnetic defect state at the Fermi energy, while several calculations based on density functional the
Externí odkaz:
http://arxiv.org/abs/1704.01906
This paper has been withdrawn by the author(s), due to incompleteness.
Comment: withdrawn
Comment: withdrawn
Externí odkaz:
http://arxiv.org/abs/cond-mat/0507673
Publikováno v:
Phys. Rev. B 73, 125420 (2006) .
We present an ab initio study of the structural and electronic properties of styrene molecules adsorbed on the dimerized Si(100) surface at different coverages, ranging from the single-molecule to the full monolayer. The adsorption mechanism primaril
Externí odkaz:
http://arxiv.org/abs/cond-mat/0507635
Autor:
Ferretti, A., Calzolari, A., Di Felice, R., Manghi, F., Caldas, M. J., Nardelli, M. Buongiorno, Molinari, E.
Publikováno v:
Phys. Rev. Lett. 94, 116802 (2005)
We report the inclusion of electron-electron correlation in the calculation of transport properties within an ab initio scheme. A key step is the reformulation of Landauer's approach in terms of an effective transmittance for the interacting electron
Externí odkaz:
http://arxiv.org/abs/cond-mat/0409222
Publikováno v:
Journal of Applied Physics; 4/15/2007, Vol. 101 Issue 8, p081719, 5p, 4 Diagrams, 1 Chart, 1 Graph
Publikováno v:
International Journal of Quantum Chemistry. 2005, Vol. 103 Issue 5, p588-596. 9p. 4 Diagrams, 2 Charts, 3 Graphs.
Publikováno v:
Advanced Calculations for Defects in Materials. :201-211
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92ee86c58b19f46ac8e343c1b5d2b689
https://doi.org/10.1002/9783527638529.ch12
https://doi.org/10.1002/9783527638529.ch12
Autor:
Galvão, D. S., Caldas, M. J.
Publikováno v:
Journal of Chemical Physics; 8/15/1990, Vol. 93 Issue 4, p2848, 6p
Autor:
Galvão, D. S., Caldas, M. J.
Publikováno v:
Journal of Chemical Physics; 2/15/1990, Vol. 92 Issue 4, p2630, 7p