Theoretical Auger electron spectra of polymers by density functional theory calculations using model dimers

Theoretical Auger electron spectra of polymers by density functional theory calculations using model dimers

We propose a new approach for analysis of Auger electron spectra (AES) of polymers by density functional theory (DFT) calculations with the Slater's transition-state concept. Simulated AES and X-ray photoelectron spectra (XPS) of four polymers [(CH2CH2)n (PE), (CH2CH(CH3))n (PP), (CH2CH(OCH3))n...

Ausführliche Beschreibung

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 23(2002), 3 vom: 01. Feb., Seite 394-401
1. Verfasser: Otsuka, Takao (VerfasserIn)
Weitere Verfasser: Koizumi, Seiji, Endo, Kazunaka, Kawabe, Hiroyuki, Chong, Delano P
Format: Aufsatz
Sprache:English
Veröffentlicht: 2002
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Polymers