21 citations · 21 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2011★ 21 cited
On the stability of "non-magic" endohedrally doped Si clusters: A first-principles sampling study of MSi16^+ (M =Ti,V,Cr)
Dennis Palagin, Matthias Gramzow, Karsten Reuter
Density-functional theory is used to study the geometric and electronic structure of cationic Si16^+ clusters with a Ti, V or Cr dopant atom. Through unbiased global geometry optim…
cond-mat.mes-hall2010
Structural Metastability of Endohedral Silicon Fullerenes
Alex Willand, Matthias Gramzow, S. Alireza Ghasemi +4
Endohedrally doped Si20 fullerenes appear as appealing building blocks for nanoscale materials. We investigate their structural stability with an unbiased and systematic global geo…