Marisol Alcantara Ortigoza

First principles calculations of the electronic and geometric structure of Ag 27 Cu 7 nanoalloy

\emph{Ab initio} calculations of the structure and electronic density of states (DOS) of the perfect core-shell

Gold-doped graphene: A highly stable and active electrocatalysts for the oxygen reduction reaction

Ag_{27}Cu_{7}

High CO tolerance of Pt/Ru nanocatalyst: Insight from first principles calculations

nanoalloy attest to its

An MoSx Structure with High Affinity for Adsorbate Interaction

D_{5h}

Effect of c(2×2)-CO overlayer on the phonons of Cu(001) : A first-principles study

symmetry and confirm that it has only 6 non-equivalent (2

Ab initio calculations of the dispersion of surface phonons of a c(2 × 2) CO overlayer on Ag(001)

Cu

Nature of the binding of a c(2×2)-CO overlayer on Ag(001) and surface mediated intermolecular coupling.

and 4

The perturbation energy: A missing key to understand the “nobleness” of bulk gold

Ag

Application of density functional theory to CO tolerance in fuel cells: a brief review.

) atoms. Analysis of bond-length, average formation energy, heat of formation of

Formation of Pt islets on facets of Ru nanoparticles : First-principles study

Ag_{27}Cu_{7}