ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE | Zendy

Metin Bilge | Zendy

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ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE

Author(s) -

Metin Bilge

Publication year - 2017

Publication title -

anadolu university journal of science and technology-a applied sciences and engineering

Language(s) - English

Resource type - Journals

ISSN - 1302-3160

DOI - 10.18038/aubtda.281646

Subject(s) - fullerene , chemisorption , binding energy , adsorption , molecule , atom (system on chip) , chemistry , computational chemistry , doping , crystallography , materials science , organic chemistry , atomic physics , physics , optoelectronics , computer science , embedded system

Interaction mechanisms of doped fullerenes and various types of molecules have been paid increasing attention. In this research, absorption mechanism, structural and electronic properties, natural bond orbital analysis between pentylamine (pa) and doped (Si or Al) C 60 fullerenes were investigated by quantum mechanical calculations. Bond order and binding energy results suggest that a chemisorption occur between nitrogen atom of pa and silicon/aluminum atoms of fullerene cages, examined complexes yielded with higher binding energy in water media and the system of AlC 59 …pa in water was found as having the highest binding energy.

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