Various defects in graphene: a review

MD Bhatt, H Kim, G Kim - RSC advances, 2022 - pubs.rsc.org
Pristine graphene has been considered one of the most promising materials because of its
excellent physical and chemical properties. However, various defects in graphene produced …

A theory/experience description of support effects in carbon-supported catalysts

IC Gerber, P Serp - Chemical Reviews, 2019 - ACS Publications
The support plays an important role for supported metal catalysts by positioning itself as a
macromolecular ligand, which conditions the nature of the active site and contributes …

[HTML][HTML] Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems

AC Ferrari, F Bonaccorso, V Fal'Ko, KS Novoselov… - Nanoscale, 2015 - pubs.rsc.org
We present the science and technology roadmap for graphene, related two-dimensional
crystals, and hybrid systems, targeting an evolution in technology, that might lead to impacts …

Atomic-scale control of graphene magnetism by using hydrogen atoms

H González-Herrero, JM Gómez-Rodríguez, P Mallet… - Science, 2016 - science.org
Isolated hydrogen atoms absorbed on graphene are predicted to induce magnetic moments.
Here we demonstrate that the adsorption of a single hydrogen atom on graphene induces a …

[HTML][HTML] H2 formation on interstellar dust grains: The viewpoints of theory, experiments, models and observations

V Wakelam, E Bron, S Cazaux, F Dulieu, C Gry… - Molecular …, 2017 - Elsevier
Molecular hydrogen is the most abundant molecule in the universe. It is the first one to form
and survive photo-dissociation in tenuous environments. Its formation involves catalytic …

Ab‐initio simulations of materials using VASP: Density‐functional theory and beyond

J Hafner - Journal of computational chemistry, 2008 - Wiley Online Library
During the past decade, computer simulations based on a quantum‐mechanical description
of the interactions between electrons and between electrons and atomic nuclei have …

Emergence of magnetism in graphene materials and nanostructures

OV Yazyev - Reports on Progress in Physics, 2010 - iopscience.iop.org
Magnetic materials and nanostructures based on carbon offer unique opportunities for future
technological applications such as spintronics. This paper reviews graphene-derived …

Properties of graphene: a theoretical perspective

DSL Abergel, V Apalkov, J Berashevich… - Advances in …, 2010 - Taylor & Francis
The electronic properties of graphene, a two-dimensional crystal of carbon atoms, are
exceptionally novel. For instance, the low-energy quasiparticles in graphene behave as …

[HTML][HTML] Ion and electron irradiation-induced effects in nanostructured materials

AV Krasheninnikov, K Nordlund - Journal of applied physics, 2010 - pubs.aip.org
A common misconception is that the irradiation of solids with energetic electrons and ions
has exclusively detrimental effects on the properties of target materials. In addition to the …

The role of defects and doping in 2D graphene sheets and 1D nanoribbons

H Terrones, R Lv, M Terrones… - Reports on Progress in …, 2012 - iopscience.iop.org
Defects are usually seen as imperfections in materials that could significantly degrade their
performance. However, at the nanoscale, defects could be extremely useful since they could …