Graphene-adsorbed Fe, Co, and Ni trimers and tetramers: Structure, stability, and magnetic moment

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Density functional theory study of Fe, Co, and Ni adatoms and dimers adsorbed on graphene

(2009) Harman Johll et al.   PHYSICAL REVIEW B

Co Dimers on Hexagonal Carbon Rings Proposed as Subnanometer Magnetic Storage Bits

(2009) Ruijuan Xiao et al.   PHYSICAL REVIEW LETTERS

A self-consistent Hubbard U density-functional theory approach to the addition-elimination reactions of hydrocarbons on bare FeO+

(2008) Heather J. Kulik et al.   JOURNAL OF CHEMICAL PHYSICS

Transition metal dimers as potential molecular magnets: A challenge to computational chemistry

(2008) Daniel Fritsch et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Density functional calculation of transition metal adatom adsorption on graphene

(2008) Yuliang Mao et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles study of metal adatom adsorption on graphene

(2008) Kevin T. Chan et al.   PHYSICAL REVIEW B