Interaction of Platinum Nanoparticles with Graphitic Carbon Structures: A Computational Study

The role of nitrogen in a carbon support on the increased activity and stability of a Pt catalyst in electrochemical hydrogen oxidation

(2012) Ganghong Bae et al.   CARBON

Stability investigations of electrocatalysts on the nanoscale

(2012) Josef C. Meier et al.   Energy & Environmental Science

Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

(2012) Jiří Klimeš et al.   JOURNAL OF CHEMICAL PHYSICS

Implementation of empirical dispersion corrections to density functional theory for periodic systems

(2012) Werner Reckien et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Computational Study of Pt/Co Core–Shell Nanoparticles: Segregation, Adsorbates and Catalyst Activity

(2012) M. Kettner et al.   Journal of Physical Chemistry C

Controlled Catalytic Properties of Platinum Clusters on Strained Graphene

(2012) Gyubong Kim et al.   Journal of Physical Chemistry Letters

Carbon-supported Pd–Co as cathode catalyst for APEMFCs and validation by DFT

(2012) S. Maheswari et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modelling electrified interfaces in quantum chemistry: constant charge vs. constant potential

(2012) Udo Benedikt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Degradation Mechanisms of Pt/C Fuel Cell Catalysts under Simulated Start–Stop Conditions

(2012) Josef C. Meier et al.   ACS Catalysis

Performance of the van der Waals Density Functional VV10 and (hybrid)GGA Variants for Thermochemistry and Noncovalent Interactions

(2011) Waldemar Hujo et al.   Journal of Chemical Theory and Computation

Identical-location TEM investigations of Pt/C electrocatalyst degradation at elevated temperatures

(2011) Katrin Schlögl et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Electrochemically induced nanocluster migration

(2010) Katrin Hartl et al.   ELECTROCHIMICA ACTA

Enhancement of Pt and Pt-alloy fuel cell catalyst activity and durability via nitrogen-modified carbon supports

(2010) Yingke Zhou et al.   Energy & Environmental Science

Carbon nanotube reinforced metal matrix composites - a review

(2010) S R Bakshi et al.   INTERNATIONAL MATERIALS REVIEWS

Nonlocal van der Waals density functional: The simpler the better

(2010) Oleg A. Vydrov et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Structure and Energetics of Azobenzene on Ag(111): Benchmarking Semiempirical Dispersion Correction Approaches

(2010) G. Mercurio et al.   PHYSICAL REVIEW LETTERS

Graphene−Metal Particle Nanocomposites

(2009) Chao Xu et al.   Journal of Physical Chemistry C

Degradation of Carbon-Supported Pt Bimetallic Nanoparticles by Surface Segregation

(2009) Karl J. J. Mayrhofer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functional study ofPt4clusters adsorbed on a carbon nanotube support

(2009) Nguyen Thanh Cuong et al.   PHYSICAL REVIEW B

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Non-destructive transmission electron microscopy study of catalyst degradation under electrochemical treatment

(2008) Karl J.J. Mayrhofer et al.   JOURNAL OF POWER SOURCES