Stone–wales defect in graphene
Abstract 2D graphene the most investigated structures from nanocarbon family studied in the
last three decades. It is projected as an excellent material useful for quantum computing …
last three decades. It is projected as an excellent material useful for quantum computing …
Time-dependent density-functional theory: concepts and applications
CA Ullrich - 2011 - books.google.com
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …
interacting electronic many-body systems formally exactly and in a practical and efficient …
[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 …
has exclusively detrimental effects on the properties of target materials. In addition to the …
Boron nitride nanotubes
This article presents an overview of the up-to-date developments in boron nitride nanotubes
(BNNTs), including theory, fabrication, structure, physical properties, chemical …
(BNNTs), including theory, fabrication, structure, physical properties, chemical …
Chemical functionalization of graphene with defects
DW Boukhvalov, MI Katsnelson - Nano letters, 2008 - ACS Publications
Defects change essentially not only the electronic properties but also the chemical
properties of graphene, being centers of its chemical activity. Their functionalization is a way …
properties of graphene, being centers of its chemical activity. Their functionalization is a way …
Effect of chemical doping of boron and nitrogen on the electronic, optical, and electrochemical properties of carbon nanotubes
This review covers the electronic, optical and electrochemical properties along with
electronic behaviors of boron (B) and nitrogen (N) substituted Single Wall Carbon …
electronic behaviors of boron (B) and nitrogen (N) substituted Single Wall Carbon …
Curved Pi-Conjugation, Aromaticity, and the Related Chemistry of Small Fullerenes (<C60) and Single-Walled Carbon Nanotubes
The successive discoveries of fullerenes1 and carbon nanotubes2 (CNTs) around 1990
triggered a hot wave of scientific research to explore the properties and applications of these …
triggered a hot wave of scientific research to explore the properties and applications of these …
Carbon nanotube-based polymer composites: synthesis, properties and applications
The present chapter covers the designing, development, properties and applications of
carbon nanotube-loaded polymer composites. The first section will provide a brief overview …
carbon nanotube-loaded polymer composites. The first section will provide a brief overview …
Stone-Wales-type transformations in carbon nanostructures driven by electron irradiation
Observations of topological defects associated with Stone-Wales-type transformations (ie,
bond rotations) in high-resolution transmission electron microscopy (HRTEM) images of …
bond rotations) in high-resolution transmission electron microscopy (HRTEM) images of …
Time-dependent density functional theory
MAL Marques, EKU Gross - A Primer in Density Functional Theory, 2003 - Springer
Time-dependent density-functional theory (TDDFT) extends the basic ideas of ground-state
density-functional theory (DFT) to the treatment of excitations and of more general time …
density-functional theory (DFT) to the treatment of excitations and of more general time …