56 citations · 111 across the 3 of their papers we have counts for
3 papers
Oxygen Reduction Reaction: Rapid Prediction of Mass Activity of Unstrained Nanostructured Platinum Electrocatalysts
Marlon Rueck, Aliaksandr Bandarenka, Federico Calle-Vallejo +1
Tailored Pt nanoparticle catalysts are promising candidates to accelerate the oxygen reduction reaction (ORR) in fuel cells. However, the search for active nanoparticle catalysts i…
First-principles Structural and Electronic Characterization of Ordered SiO2 Nanowires
José I. Martínez, Federico Calle-Vallejo, Clifford M. Krowne +1
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, or…
Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces
D. J. Mowbray, J. I. Martinez, F. Calle-Vallejo +4
The formation energies of nanostructures play an important role in determining their properties, including the catalytic activity. For the case of 15 different rutile and 8 differe…