The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co13, Rh13, and Hf13

Effective coordination concept applied for phase change (GeTe)m(Sb2Te3)n compounds

(2011) Juarez L. F. Da Silva   JOURNAL OF APPLIED PHYSICS

Transition-metal 13-atom clusters assessed with solid and surface-biased functionals

(2011) Maurício J. Piotrowski et al.   JOURNAL OF CHEMICAL PHYSICS

Communications: The structure of Rh8+ in the gas phase

(2010) D. J. Harding et al.   JOURNAL OF CHEMICAL PHYSICS

Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy

(2010) D. J. Harding et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate surface and adsorption energies from many-body perturbation theory

(2010) L. Schimka et al.   NATURE MATERIALS

Reconstruction of core and surface nanoparticles: The example ofPt55andAu55

(2010) Juarez L. F. Da Silva et al.   PHYSICAL REVIEW B

Density functional theory investigation of3d,4d, and5d13-atom metal clusters

(2010) Maurício J. Piotrowski et al.   PHYSICAL REVIEW B

Study of the Structural and Electronic Properties of RhNand RuNClusters (N< 20) within the Density Functional Theory

(2009) F. Aguilera-Granja et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane

(2009) Stefan Vajda et al.   NATURE MATERIALS

Theoretical investigation of atomic and electronic structures ofGa2O3(ZnO)6

(2009) Juarez L. F. Da Silva et al.   PHYSICAL REVIEW B

13-atom metallic clusters studied by density functional theory: Dependence on exchange-correlation approximations and pseudopotentials

(2009) J. P. Chou et al.   PHYSICAL REVIEW B

Density-Functional Calculations of the Structure of Near-Surface Oxygen Vacancies and Electron Localization onCeO2(111)

(2009) M. Verónica Ganduglia-Pirovano et al.   PHYSICAL REVIEW LETTERS

Reversible Antimicrobial Photoswitching in Nanosilver

(2009) Cindy Gunawan et al.   Small

Selective Release of Multiple DNA Oligonucleotides from Gold Nanorods

(2008) Andy Wijaya et al.   ACS Nano

Periodic trends in the geometric structures of 13-atom metal clusters

(2008) Yan Sun et al.   PHYSICAL REVIEW B

Trends in adsorption of noble gases He, Ne, Ar, Kr, and Xe onPd(111)(3×3)R30°: All-electron density-functional calculations

(2008) Juarez L. F. Da Silva et al.   PHYSICAL REVIEW B

Comparativeab initiostudy of the structural, electronic, and magnetic trends of isoelectronic late3dand4dtransition metal clusters

(2008) F. Aguilera-Granja et al.   PHYSICAL REVIEW B

Structural, electronic, and magnetic properties of 13-, 55-, and 147-atom clusters of Fe, Co, and Ni: A spin-polarized density functional study

(2008) Ranber Singh et al.   PHYSICAL REVIEW B

Nature of the Band Gap ofIn2O3Revealed by First-Principles Calculations and X-Ray Spectroscopy

(2008) Aron Walsh et al.   PHYSICAL REVIEW LETTERS

Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO

(2008) Aron Walsh et al.   PHYSICAL REVIEW LETTERS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS