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Structural and charge relaxation of nanoclusters of CdSe of diameter 1-2 nm are studied with first principle calculations. The relaxations cause significant distortions of smaller systems of ~ 1 nm in diameter and have very minimal effect on the larg
Externí odkaz:
http://arxiv.org/abs/1405.1587
Autor:
Tefera, Anteneh G., Mochena, Mogus D.
Our density functional theory calculations for Fe_{13-n}M_{n} for M = Sc, Ti, V, Cr, Mn, Co, Ni, and Cu up to n = 4 show that the icosahedral symmetry of Fe13, albeit minor changes in bond lengths, is robust despite doping and is retained for all hom
Externí odkaz:
http://arxiv.org/abs/1311.7108
Autor:
Tefera, Anteneh G, Mochena, Mogus D
Symmetric minima of surface potential energy of a nanocatalyst act as nucleation sites for chirally selective initial growth of single walled carbon tubes at low temperatures. The nucleation sites are sites of maximum coordination number of the adsor
Externí odkaz:
http://arxiv.org/abs/1304.8078
Autor:
Tefera, Anteneh G., Mochena, Mogus D.
Publikováno v:
In Carbon February 2014 67:198-202
Publikováno v:
Journal of Applied Physics; 2014, Vol. 116 Issue 10, p1-9, 9p, 17 Color Photographs, 2 Charts
Akademický článek
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