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Density functional theory studies of the adsorption of hydrogen sulfide on aluminum doped silicane

✍ Scribed by Francisco Sánchez-Ochoa, Jonathan Guerrero-Sánchez…


Book ID
120923203
Publisher
Springer-Verlag
Year
2013
Tongue
English
Weight
547 KB
Volume
19
Category
Article
ISSN
1610-2940

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✍ A. Tapia; C. Acosta; R.A. Medina-Esquivel; G. Canto 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 734 KB

The influence of potassium (K) on the hydrogen (H) adsorption on graphene (G) was studied by means of density functional theory with the generalized gradient approximation. The structural parameters, bonding and magnetic properties of one and two H atoms interacting with potassium doped graphene (H–