Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Anthony Dyan"'
Publikováno v:
Physical Review B. 83
Publikováno v:
Applied Surface Science
Applied Surface Science, Elsevier, 2008, 254 (13), pp.3819-3828. ⟨10.1016/j.apsusc.2007.12.020⟩
Applied Surface Science, Elsevier, 2008, 254 (13), pp.3819-3828. ⟨10.1016/j.apsusc.2007.12.020⟩
Electronic and atomic structure of low index polar (0 0 1, 0 1 1, 1 1 1) spinel γ -alumina surfaces have been investigated using a modified large-scale quantum semi-empirical simulations. Atomic structure optimization and electronic structure calcul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6071066895bde0f52daad97dce242cfa
https://hal.archives-ouvertes.fr/hal-03194199
https://hal.archives-ouvertes.fr/hal-03194199
Publikováno v:
Journal of Physical Chemistry B
Journal of Physical Chemistry B, American Chemical Society, 2006, 110 (20), pp.10041-10050. ⟨10.1021/jp056825i⟩
Journal of Physical Chemistry B, American Chemical Society, 2006, 110 (20), pp.10041-10050. ⟨10.1021/jp056825i⟩
We have studied surface hydroxyls adsorbed onto (001), (011), and (111) gamma alumina surfaces using a quantum-chemistry approach in order to compare with empirical models proposed in the literature. Local electronic structures and geometries in the
Publikováno v:
Human & Experimental Toxicology. 10:387-388
Publikováno v:
Journal of Physical Chemistry B; May2006, Vol. 110 Issue 20, p10041-10050, 10p