14 citations · 34 across the 4 of their papers we have counts for
4 papers
Cerium doped graphene-based materials towards oxygen reduction reaction catalysis
Lanna E. B. Lucchetti, Pedro A. S. Autreto, Mauro C. Santos +1
With the global transition towards cleaner energy and sustainable processes, the demand for efficient catalysts, especially for the oxygen reduction reaction, has gained attention…
Enhancing catalyst activity of two-dimensional CN through doping for the hydrogen evolution reaction
Bruno Ipaves, João F. Justo, James M. de Almeida +2
This study investigates the structural, electronic, and catalytic properties of pristine and doped CN nanosheets as potential electrocatalysts for the hydrogen evolution re…
Electronic structure of water from Koopmans-compliant functionals
James Moraes de Almeida, Ngoc Linh Nguyen, Nicola Colonna +4
Obtaining a precise theoretical description of the spectral properties of liquid water poses challenges for both molecular dynamics (MD) and electronic structure methods. The lower…
Spin-filtering and Disorder Induced Giant Magnetoresistance in Carbon Nanotubes: Ab Initio Calculations
J. M. de Almeida, A. R. Rocha, A. J. R. da Silva +1
Nitrogen-doped carbon nanotubes can provide reactive sites on the porphyrin-like defects. It's well known that many porphyrins have transition metal atoms, and we have explored tra…