Catalytic Activity of Pt Nano-Particles for H2 Formation

pH in atomic scale simulations of electrochemical interfaces

(2013) Jan Rossmeisl et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen adsorption and desorption at the Pt(110)-(1×2) surface: experimental and theoretical study

(2013) Sigrídur Gudmundsdóttir et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Low and non-platinum electrocatalysts for PEMFCs: Current status, challenges and prospects

(2012) A. Brouzgou et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Modeling of the symmetry factor of electrochemical proton discharge via the Volmer reaction

(2012) Mårten E. Björketun et al.   CATALYSIS TODAY

Avoiding pitfalls in the modeling of electrochemical interfaces

(2012) Mårten E. Björketun et al.   CHEMICAL PHYSICS LETTERS

Local density of states analysis using Bader decomposition for N2 and CO2 adsorbed on Pt(110)-(1 × 2) electrodes

(2012) Sigrídur Gudmundsdóttir et al.   JOURNAL OF CHEMICAL PHYSICS

Peak utilization of catalyst with ultra-low Pt loaded PEM fuel cell electrodes prepared by the electrospray method

(2012) S. Martin et al.   JOURNAL OF POWER SOURCES

Reentrant Mechanism for Associative Desorption:H2/Pt(110)−(1×2)

(2012) Sigrídur Gudmundsdóttir et al.   PHYSICAL REVIEW LETTERS

A systematic DFT study of hydrogen diffusion on transition metal surfaces

(2012) Lilja Kristinsdóttir et al.   SURFACE SCIENCE

Finite Size Effects in Chemical Bonding: From Small Clusters to Solids

(2011) J. Kleis et al.   CATALYSIS LETTERS

Understanding the catalytic activity of gold nanoparticles through multi-scale simulations

(2011) Simon H. Brodersen et al.   JOURNAL OF CATALYSIS

A Theoretical Consideration on the Surface Structure and Nanoparticle Size Effects of Pt in Hydrogen Electrocatalysis

(2011) Fan Yang et al.   Journal of Physical Chemistry C

Standard hydrogen electrode and potential of zero charge in density functional calculations

(2011) Vladimir Tripkovic et al.   PHYSICAL REVIEW B

Density functional theory in surface chemistry and catalysis

(2011) J. K. Norskov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

(2010) Egill Skúlason et al.   Journal of Physical Chemistry C

Hydrogen adsorption on palladium and palladium hydride at 1bar

(2010) M. Johansson et al.   SURFACE SCIENCE

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Electronic properties of H on vicinal Pt surfaces: First-principles study

(2009) T. Vehviläinen et al.   PHYSICAL REVIEW B

Modeling the electrified solid–liquid interface

(2008) Jan Rossmeisl et al.   CHEMICAL PHYSICS LETTERS

Structure and reactivity of ruthenium nanoparticles

(2008) Jeppe Gavnholt et al.   PHYSICAL REVIEW B