Stone–wales defect in graphene

SK Tiwari, SK Pandey, R Pandey, N Wang… - Small, 2023 - Wiley Online Library
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 …

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 …

[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 …

Boron nitride nanotubes

C Zhi, Y Bando, C Tang, D Golberg - Materials Science and Engineering: R …, 2010 - Elsevier
This article presents an overview of the up-to-date developments in boron nitride nanotubes
(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 …

Effect of chemical doping of boron and nitrogen on the electronic, optical, and electrochemical properties of carbon nanotubes

D Jana, CL Sun, LC Chen, KH Chen - Progress in Materials Science, 2013 - Elsevier
This review covers the electronic, optical and electrochemical properties along with
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

X Lu, Z Chen - Chemical reviews, 2005 - ACS Publications
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 …

Carbon nanotube-based polymer composites: synthesis, properties and applications

W Khan, R Sharma, P Saini - Carbon nanotubes-current progress …, 2016 - books.google.com
The present chapter covers the designing, development, properties and applications of
carbon nanotube-loaded polymer composites. The first section will provide a brief overview …

Stone-Wales-type transformations in carbon nanostructures driven by electron irradiation

J Kotakoski, JC Meyer, S Kurasch, D Santos-Cottin… - Physical Review B …, 2011 - APS
Observations of topological defects associated with Stone-Wales-type transformations (ie,
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 …