Role of hydroxyl groups in the NH(x) (x = 1-3) adsorption on the TiO2 anatase (101) surface determined by a first-principles study

A spin-polarized density functional theory calculation was carried out to study the adsorption of NH(x) species (x = 1-3) on a TiO2 anatase (101) surface with and without hydroxyl groups by using first-principles calculations. It was found that the present hydroxyl group has the effect of significan...

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Publié dans:	Langmuir : the ACS journal of surfaces and colloids. - 1991. - 26(2010), 7 vom: 06. Apr., Seite 4813-21
Auteur principal:	Chang, Jee-Gong (Auteur)
Autres auteurs:	Chen, Hsin-Tsung, Ju, Shin-Pon, Chen, Hui-Lung, Hwang, Chi-Chuan
Format:	Article en ligne
Langue:	English
Publié:	2010
Accès à la collection:	Langmuir : the ACS journal of surfaces and colloids
Sujets:	Journal Article