(2005). Study of The Effects of Some Organic Monomers on The Electronic Structure For C20 Cage Fullerene. , 1(0), 109-114.
. "Study of The Effects of Some Organic Monomers on The Electronic Structure For C20 Cage Fullerene". , 1, 0, 2005, 109-114.
(2005). 'Study of The Effects of Some Organic Monomers on The Electronic Structure For C20 Cage Fullerene', , 1(0), pp. 109-114.
Study of The Effects of Some Organic Monomers on The Electronic Structure For C20 Cage Fullerene. , 2005; 1(0): 109-114.

Study of The Effects of Some Organic Monomers on The Electronic Structure For C20 Cage Fullerene

journal of kerbala university
Article 1, Volume 1, Issue 0, 2005, Pages 109-114    PDF (0 K)
Abstract
Three parameters Lee-Yang-Parr B3LYP density functional theory calculations are applied for C20 cage fullerene some organic monomers included thiophene, furan, vinyle and pyrrole are used to interact on C20 cage. The computations are carried out the large 6-31G(d,p) basis sets.
The results declare that the used monomers all have large band gap, and the monomers – fullerene composites have narrow band gap of these composites can lead to materials that can absorb solar radiation.
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