A density functional theory study on the effect of size on the ionization potential of different carbon fullerenes
Journal: Journal of Medicinal and Chemical Sciences (Vol.1, No. 2)Publication Date: 2018-10-01
Authors : Ali Mirzaie;
Page : 31-32
Keywords : Fullerenes; Ionization; Potential;
- A density functional theory study on the effect of size on the ionization potential of different carbon fullerenes
- Evaluating Adsorption of Proline Amino Acid on the Surface of Fullerene (C60) and Carbon Nanocone by Density Functional Theory
- Identification of fullerenes in iron-carbon alloys structure
- ELECTRON AFFINITY AND ANTI-OXIDATIVE ACTIVITY OF AROMATIC POLYCONDENSED STRUCTURES, FULLERENES AND CARBON NANOTUBES
- ASSESSMENT OF THE EFFECT OF PARTICLE SIZE AND BRIQUETTE TYPE ON THE BULK DENSITY AND RESISTANCE TO HUMIDITY OF SOME SOLID BIOMASS BRIQUETTES
Abstract
Theoretical investigations were performed to study the structures and properties of different carbon nanoclusters. The computed properties were compared with those of the fullerene. The study systems included carbon fullerenes C20, C26, C28 and ionization potential of studied fullerenes are reported and compared with those of the fullerenes. It was found that the computed electronic properties are significantly influenced by the shape and size of different carbon nanoclusters.
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Last modified: 2019-03-21 04:34:42