NO electrochemical reduction over Si-N4 embedded graphene: A DFT investigation
Authors:
- Nasibeh SaeidiNSNasibeh Saeidi
- Mehdi D. EsrafiliMEMehdi D. Esrafili
- Jaber Jahanbin SardroodiJSJaber Jahanbin Sardroodi
- 1 April 2021
- journal article
- research article
- Published by Elsevier in Applied Surface Science
- Vol. 544
Abstract
No abstract availableKeywords
This publication has 44 references indexed in Scilit:
- A density functional theory study of oxygen reduction reaction on Me–N4 (Me = Fe, Co, or Ni) clusters between graphitic poresJournal of Materials Chemistry A, 2013
- Functionalized Graphene-Based Nanocomposites for Supercapacitor ApplicationThe Journal of Physical Chemistry C, 2011
- Solution-processable functionalized graphene in donor/acceptor-type organic photovoltaic cellsSolar Energy Materials and Solar Cells, 2010
- Nitrogen-Doped Graphene as Efficient Metal-Free Electrocatalyst for Oxygen Reduction in Fuel CellsACS Nano, 2010
- Semiempirical GGA‐type density functional constructed with a long‐range dispersion correctionJournal of Computational Chemistry, 2006
- Trends in the Exchange Current for Hydrogen EvolutionJournal of the Electrochemical Society, 2005
- Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysisJournal of Computational Chemistry, 2003
- From molecules to solids with the DMol3 approachThe Journal of Chemical Physics, 2000
- Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]Physical Review Letters, 1997
- COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradientJournal of the Chemical Society, Perkin Transactions 2, 1993