[HTML][HTML] New frontiers in atom probe tomography: a review of research enabled by cryo and/or vacuum transfer systems
There has been a recent surge in the use of cryo and/or vacuum specimen preparation and
transfer systems to broaden the scope of research enabled by the microscopy technique of …
transfer systems to broaden the scope of research enabled by the microscopy technique of …
Atom probe tomography for catalysis applications: a review
Atom probe tomography is a well-established analytical instrument for imaging the 3D
structure and composition of materials with high mass resolution, sub-nanometer spatial …
structure and composition of materials with high mass resolution, sub-nanometer spatial …
Evidence of Pd segregation and stabilization at edges of AuPd nano-clusters in the presence of CO: A combined DFT and DRIFTS study
Abstract Combined Density Functional Theory (DFT) calculations and Diffuse Reflectance
Infrared Fourier Transform Spectroscopy (DRIFTS) were performed to study the distribution …
Infrared Fourier Transform Spectroscopy (DRIFTS) were performed to study the distribution …
Modeling segregation on AuPd (111) surfaces with density functional theory and Monte Carlo simulations
JR Boes, JR Kitchin - The Journal of Physical Chemistry C, 2017 - ACS Publications
The simulation of segregation in multicomponent alloy surfaces is challenging with atomistic
approaches because of the need to model a very large number of possible configurations …
approaches because of the need to model a very large number of possible configurations …
Theoretical studies on the synergetic effects of Au–Pd bimetallic catalysts in the selective oxidation of methanol
The selective oxidation of methanol to formaldehyde with molecular O2 on Au–Pd alloy
surfaces has been studied by using density functional theory (DFT). We show that the …
surfaces has been studied by using density functional theory (DFT). We show that the …
Equilibrium ordering properties of Au–Pd alloys and nanoalloys
I Atanasov, M Hou - Surface science, 2009 - Elsevier
Equilibrium configurations of bulk and surface Au–Pd alloys as well as of nanoalloy clusters
are studied using Metropolis Monte Carlo importance sampling and the embedded atom …
are studied using Metropolis Monte Carlo importance sampling and the embedded atom …
Adaptive kinetic Monte Carlo simulations of surface segregation in PdAu nanoparticles
Surface segregation in bimetallic nanoparticles (NPs) is critically important for their catalytic
activity because the activity is largely determined by the surface composition. Little, however …
activity because the activity is largely determined by the surface composition. Little, however …
DFT study of the M segregation on MAu alloys (M= Ni, Pd, Pt) in presence of adsorbed oxygen O and O2
Segregation phenomena of group 10 (M= Ni, Pd, Pt) transition-metals substituted in Au (111)
surface and sub-surface layers are investigated by DFT periodic calculations in presence of …
surface and sub-surface layers are investigated by DFT periodic calculations in presence of …
Altering CO binding on gold cluster cations by Pd-doping
The introduction of dopant atoms into metal nanoparticles is an effective way to control the
interaction with adsorbate molecules and is important in many catalytic processes. In this …
interaction with adsorbate molecules and is important in many catalytic processes. In this …
Molecular dynamics simulation of the melting behavior of crown-jewel structured Au–Pd nanoalloys
M Li, D Cheng - The Journal of Physical Chemistry C, 2013 - ACS Publications
Understanding the thermal stability of the novel crown-jewel structured Au–Pd nanoalloys
with the Au atoms at the top positions is attractive and significant for their potential …
with the Au atoms at the top positions is attractive and significant for their potential …