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[34212] Artykuł:

Some Aspects of Using the Hyperchem Software in Study of Ni-C and Pd-C Nanostructures

Czasopismo: Conference on Photonics Applications in Astronomy, Communications, Industry, and High-Energy Physics Experiments 2010, Wilga, Poland, 24-29.05.2010. Proceedings of SPIE,   Tom: 7745
ISSN:  0277-786X
ISBN:  978-0-8194-8235-8
Wydawca:  SPIE-INT SOC OPTICAL ENGINEERING, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
Opublikowano: 2010
Seria wydawnicza:  Proceedings of SPIE
 
  Autorzy / Redaktorzy / Twórcy
Imię i nazwisko Wydział Katedra Procent
udziału
Liczba
punktów
Radosław Belka orcid logoWEAiIKatedra Telekomunikacji, Fotoniki i Nanomateriałów *****5013.00  
Karol Piwowarczyk50.00  

Grupa MNiSW:  Materiały z konferencji międzynarodowej (zarejestrowane w Web of Science)
Punkty MNiSW: 13
Klasyfikacja Web of Science: Proceedings Paper


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Keywords:

Ni-C nanostructures  FTIR spectra  quantum chemistry  semi-empirical method  vibrational spectra 



Abstract:

Ni-C nanostructures are the interesting object of study due to their potential use in field-effect electron emitters. Investigations of the structures are typically carried out using experimental methods as molecular spectroscopy (FTIR and Raman). The aim of these investigations is study the influence of metal atoms on formation of carbon structure. These studies may be expanded through the using of quantum mechanics calculation software.

Some aspects of using a Hyperchem software in study of Ni-C structures will be presented. The simulations were made for typical structures of carbon (C(60) fulleren and graphene) surrounded by metal atoms. The usefulness of the software in the quantum-mechanics calculations is analysed.