3 papers
cond-mat.mtrl-sci2014
First principles calculations of Structure and electrostatic properties of non ligated CdSe nanoclusters
Anteneh G Tefera, Mogus D Mochena, Elijah Johnson +1
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…
cond-mat.mtrl-sci2013
Doping icosahedral Fe with 3d transition elements
Anteneh G. Tefera, Mogus D. Mochena
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…
cond-mat.mtrl-sci2013
Nucleation and cap formation on symmetric metal nanocatalysts: A first step towards chirality-controlled single-walled carbon nanotube growth
Anteneh G Tefera, Mogus D Mochena
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…