Electronic and structural properties of transition-metal carbide and nitride surfaces

LI Johansson - Surface science reports, 1995 - Elsevier
Findings concerning the electronic and structural properties of clean surfaces of transition-
metal carbides and nitrides are reviewed. Topics treated are: investigations of the occupied …

Surface properties and activation

L Schlapbach - Hydrogen in Intermetallic Compunds II: Surface and …, 2005 - Springer
The particular importance of surface effects in hydrogen adsorption and absorption by
metals, for getters, permanent magnets, in catalytic reactions, battery electrode reaction, H …

Surface segregation of Ni-Cu binary alloys studied by an atom-probe

T Sakurai, T Hashizume, A Kobayashi, A Sakai… - Physical Review B, 1986 - APS
A focusing-type time-of-flight atom probe (field-ion microscope) was applied for a detailed
investigation of surface segregation in Ni-Cu binary alloys over the entire composition …

Reaction induced surface segregation in amorphous CuZr, NiZr and PdZr alloys—An XPS and SIMS depth profiling study

M Kilo, M Hund, G Sauer, A Baiker… - Journal of alloys and …, 1996 - Elsevier
Amorphous alloys based on zirconium are used as precursors for the preparation of highly
active CO2 and CO hydrogenation catalysts. The activation process of glassy CuZr, NiZr …

Understanding the structure and reactivity of NiCu nanoparticles: an atomistic model

P Quaino, G Belletti, SA Shermukhamedov… - Physical Chemistry …, 2017 - pubs.rsc.org
The structure of bimetallic NiCu nanoparticles (NP) is investigated as a function of their
composition and size by means of Lattice MonteCarlo (LMC) and molecular dynamics (MD) …

Self-consistent electronic structure and segregation profiles of the Cu-Ni (001) random-alloy surface

AV Ruban, IA Abrikosov, DY Kats, D Gorelikov… - Physical Review B, 1994 - APS
We have calculated the electronic structure and segregation profiles of the (001) surface of
random Cu-Ni alloys with varying bulk concentrations by means of the coherent potential …

Angle-resolved photoemission from ordered and disordered Cu3Au

RG Jordan, GS Sohal, BL Gyorffy… - Journal of Physics F …, 1985 - iopscience.iop.org
Angle-resolved photoemission from ordered and disordered Cu3Au Page 1 Journal of Physics
F: Metal Physics Angle-resolved photoemission from ordered and disordered Cu3Au To cite this …

Green's function multiple-scattering theory with a truncated basis set: An augmented-KKR formalism

A Alam, SN Khan, AV Smirnov, DM Nicholson… - Physical Review B, 2014 - APS
The Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an
efficient site-centered, electronic-structure technique for addressing an assembly of N …

Self-consistent ordering energies and segregation profiles at binary-alloy surfaces

H Dreyssé, LT Wille, D De Fontaine - Physical Review B, 1993 - APS
We discuss the application of the direct configurational averaging method to the calculation
of the thermodynamic properties of alloy surfaces. We analyze critically a number of …

Surface segregation and bulk phase separation in segregating alloys

Y Teraoka, T Seto - Surface science, 1991 - Elsevier
Surface segregation in segregating alloys with a surface has been investigated on the basis
of the pairwise interaction model. The theoretical treatment has been carried out within the …