Journal ArticleDOI
Single and Multiple Doping in Graphene Quantum Dots: Unraveling the Origin of Selectivity in the Oxygen Reduction Reaction
Marco Favaro,Lara Ferrighi,Gianluca Fazio,Luciano Colazzo,Cristiana Di Valentin,Christian Durante,Francesco Sedona,Armando Gennaro,Stefano Agnoli,Gaetano Granozzi +9 more
TLDR
In this article, the selectivity of the reaction is controlled by the oxidation states of the dopants: as-prepared graphene oxide quantum dots follow a two-electron reduction path that leads to the formation of hydrogen peroxide, whereas after the reduction with...Abstract:
Singly and multiply doped graphene oxide quantum dots have been synthesized by a simple electrochemical method using water as solvent. The obtained materials have been characterized by photoemission spectroscopy and scanning tunneling microscopy, in order to get a detailed picture of their chemical and structural properties. The electrochemical activity toward the oxygen reduction reaction of the doped graphene oxide quantum dots has been investigated by cyclic voltammetry and rotating disk electrode measurements, showing a clear decrease of the overpotential as a function of the dopant according to the sequence: N ∼ B > B,N. Moreover, assisted by density functional calculations of the Gibbs free energy associated with every electron transfer, we demonstrate that the selectivity of the reaction is controlled by the oxidation states of the dopants: as-prepared graphene oxide quantum dots follow a two-electron reduction path that leads to the formation of hydrogen peroxide, whereas after the reduction with ...read more
Citations
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Emerging Two-Dimensional Nanomaterials for Electrocatalysis
Huanyu Jin,Chunxian Guo,Xin Liu,Jinlong Liu,Anthony Vasileff,Yan Jiao,Yao Zheng,Shi-Zhang Qiao +7 more
TL;DR: The fundamental relationships between electronic structure, adsorption energy, and apparent activity for a wide variety of 2D electrocatalysts are described with the goal of providing a better understanding of these emerging nanomaterials at the atomic level.
Journal ArticleDOI
Heteroatom-Doped Graphene-Based Materials for Energy-Relevant Electrocatalytic Processes
TL;DR: In this paper, the authors provide a concise appraisal on graphene doping methods, possible doping configurations and their unique electrochemical properties, including single and double doping with N, B, S, and P. In addition, three-dimensional heteroatom-doped graphene structures have been discussed, and those especially can be directly utilized as catalyst electrodes without extra binders and s.
Journal ArticleDOI
Towards high-efficiency nanoelectrocatalysts for oxygen reduction through engineering advanced carbon nanomaterials
TL;DR: This critical review will summarize recent advances on engineering advanced carbon nanomaterials with different dimensions for the rational design and synthesis of noble-metal-free oxygen reduction electrocatalysts including heteroatom-doped carbon nanmaterials, transition metal-based nanoparticle (NP)-carbon Nanomaterial composites and especially the stable iron carbide (Fe3C)-based NP-carbon nanom material composites.
Journal ArticleDOI
Recent Advances on Graphene Quantum Dots: From Chemistry and Physics to Applications
TL;DR: The differences between G QDs and other nanomaterials, including their nanocarbon cousins, are emphasized, and the unique advantages of GQDs for specific applications are highlighted.
Journal ArticleDOI
Graphene quantum dots from chemistry to applications
TL;DR: GQDs are considered new kind of quantum dots (QDs), as they are chemically and physically stable because of its intrinsic inert carbon property as discussed by the authors, and they are environmentally friendly due to its non-toxic and biologically inert properties.
References
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Journal ArticleDOI
Density‐functional thermochemistry. III. The role of exact exchange
TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
Journal ArticleDOI
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.
Journal ArticleDOI
The rise of graphene
TL;DR: Owing to its unusual electronic spectrum, graphene has led to the emergence of a new paradigm of 'relativistic' condensed-matter physics, where quantum relativistic phenomena can now be mimicked and tested in table-top experiments.
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Quantum mechanical continuum solvation models.
TL;DR: This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.