118 citations · 118 across the 3 of their papers we have counts for
3 papers
Understanding the Oxygen Reduction Reaction and Oxygen Evolution Reaction in Metal Intercalated Biphenylene Bilayers
Henri G. Mendonça, Pedro H. Souza, Walter Orellana +1
We conducted an {\it ab initio} study of the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in metal-encapsulated biphenylene bilayers, B/M/B, with M = Ti, V,…
Metal-Coordination Effects on the Stability and ORR/OER Activity of Layered Organometallic Single-Atom Catalysts: A Theoretical Study
Pedro H. Souza, Victor Hoyos-Sinchi, Walter Orellana
Organometallic layered materials have emerged as promising single-atom catalysts for oxygen reduction and evolution reactions, but their practical use has been limited by insuffici…
Comparative study of defect energetics in HfO2 and SiO2
W. L. Scopel, Antonio J. R. da Silva, W. Orellana +1
We perform ab initio calculations, based on density functional theory, of substitutional and vacancy defects in the monoclinic hafnium oxide (m-HfO2) and alpha-quartz (SiO2). The n…