DISSOCIATION OF PH3 AND AsH3 ON Ge(100)(2x1) SURFACE

Autor:	Şenay Katırcıoğlu
Rok vydání:	2007
Předmět:	Dimer Inorganic chemistry Surfaces and Interfaces Electron Condensed Matter Physics Dissociation (chemistry) Surfaces Coatings and Films Crystallography chemistry.chemical_compound Adsorption Arsine chemistry Materials Chemistry Density functional theory Total energy Phosphine
Zdroj:	Surface Review and Letters. 14:507-515
ISSN:	1793-6667 0218-625X
DOI:	10.1142/s0218625x07009451
Popis:	The most stable structures for the dissociation of phosphine and arsine on Ge (100)(2x1) surface have been investigated by relative total energy calculations based on Density Functional Theory. It has been found that the thermodynamically preferred structures in the dissociation path of phosphine and arsine are the same; PH 2 and AsH 2 products prefer to be on a single Ge dimer bond, but PH and AsH prefer to be between the adjacent Ge dimers. According to the optimization calculations, the dissociation path started with the adsorption of PH 3( AsH 3) on the electron deficient side of the Ge dimer bond is ended with the formation of P – P ( As – As ) dimers parallel to the dimers of Ge .
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8dde6c43fad9bc53d4c62580e79cbbcf https://doi.org/10.1142/s0218625x07009451 Zobrazit plný text záznamu