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A few years ago, by means of first-principles calculations, Enyashin et al.(2011) proposed several novel monolayers of carbon containing rings other than hexagons. One of those monolayers containing tetragons and octagons was investigated…

Materials Science · Physics 2025-06-26 Arifa Nazir , Alok Shukla

Two-dimensional layered and atomically thin elemental superconductors may be key ingredients in next-generation quantum technologies, if they can be stabilized and integrated into heterostructured devices under ambient conditions. However,…

Axially-stacked quantum dots (QDs) in nanowires (NWs) have important applications in fabricating nanoscale quantum devices and lasers. Although their performances are very sensitive to crystal quality and structures, there is relatively…

Graphene on silicon carbide (SiC) bears great potential for future graphene electronic applications because it is available on the wafer-scale and its properties can be custom-tailored by inserting various atoms into the graphene/SiC…

Materials Science · Physics 2018-11-07 T. A. de Jong , E. E. Krasovskii , C. Ott , R. M. Tromp , S. J. van der Molen , J. Jobst

Graphene quantum dots (QDs) are intensively studied as platforms for the next generation of quantum electronic devices. Fine tuning of the transport properties in monolayer graphene QDs, in particular with respect to the independent…

The synthesis of single-wall carbon nanotubes (SWCNTs) of desired diameters and chiralities is critical to the design of nanoscale electronic devices with desired properties.1-6 The existing methods are based on self-assembly, 7-16…

Materials Science · Physics 2009-11-13 Anton Sidorov , David Mudd , Gamini Sumanasekera , P. J. Ouseph , C. S. Jayanthi , Shi-Yu Wu*

Different stacking sequences of graphene are investigated using a combination of experimental and theoretical methods. The high-resolution transmission electron microscopy (HRTEM) of the stacking sequence of several layers of graphene,…

Materials Science · Physics 2011-08-30 Jolanta Borysiuk , Jakub Sołtys , Jacek Piechota

Carbon nanomaterials continue to amaze scientists due to their exceptional physical properties. Recently there have been theoretical predictions and first reports on graphene multilayers, where, due to the rotation of the stacked layers,…

Graphene has been suggested as an ultimately thin functional coating for metallurgical alloys such as steels. However, even on pure iron (Fe), the parent phase of steels, growth of high quality graphene films remains largely elusive to…

Graphene and carbon nanotubes (CNTs) share the same atomic structure of hexagonal carbon lattice. Yet, their synthesis differs in many aspects, including the shape and size of the catalyst. Here, we demonstrate a floating-catalyst chemical…

This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properties are greatly diversified by the number of layers, the…

Chemical Physics · Physics 2017-02-14 Ngoc Thanh Thuy Tran , Shih-Yang Lin , Chiun-Yan Lin , Ming-Fa Lin

The crystallographic stacking order in multilayer graphene plays an important role in determining its electronic structure. In trilayer graphene, rhombohedral stacking (ABC) is particularly intriguing, exhibiting a flat band with an…

Materials Science · Physics 2017-06-12 Changhua Bao , Wei Yao , Eryin Wang , Chaoyu Chen , José Avila , Maria C. Asensio , Shuyun Zhou

We report on time-dependent density functional theory (TDDFT) calculations of the excited states of 63 different graphene quantum dots (GQDs) in square shape with side lengths 1 nm, 1.5 nm and 2 nm. We investigate the systematics and trends…

Chemical Physics · Physics 2022-06-07 Şener Özönder , Caner Ünlü , Cihat Güleryüz , Levent Trabzon

Because of high surface area and combination of various functional groups, graphene oxide (GO) is currently one of the most actively studying materials for electroanalytical applications. Self-supported GO is not practical enough to be…

The formation of graphen-nanotube composites addresses a few basic problems. First, both partners are good donors and acceptors of electrons, which significantly complicates the intermolecular interaction between them leading to a two-well…

Materials Science · Physics 2009-01-26 Elena F. Sheka , Leonid A. Chernozatonskii

Graphene, defined as a single atomic plane of graphite, is a semimetal with small overlap between the valence and the conduction bands. The stacking of graphene up to several atomic layers can produce diverse physical properties, depending…

Materials Science · Physics 2019-02-08 Jiliang Zhang , Guangcun Shan

First-principles calculation has been performed to investigate the stability and electronic properties of double-layer graphene heterostructure (DLGH). In this system, two graphene layers are separated by hexagonal boron-nitride (h-BN)…

Materials Science · Physics 2014-12-15 Mei-Yan Ni , Katsunori Wakabayashi

Utilizing the strengths of nitrogen doped graphene quantum dot (N-GQD) as a substrate, here in, we have shown that one can stabilize the catalytically more active planar Au 20 (P-Au 20 ) compared to the thermodynamically more stable…

Materials Science · Physics 2014-09-15 Sharma SRKC Yamijala , Arkamita Bandyopadhyay , Swapan K Pati

Wrinkles in monolayer graphene (GN) affect the GN electronic and transport properties. Defined network of wrinkles can be reached by placing the GN on the substrate decorated with the nanoparticles (NPs). In order to explain mechanism…

Mesoscale and Nanoscale Physics · Physics 2015-12-02 Barbara Pacakova , Jana Vejpravova , Anton Repko , Alice Mantlikova , Martin Kalbac

The discovery of superconductivity and correlated electronic states in the flat bands of twisted bilayer graphene has raised a lot of excitement. Flat bands also occur in multilayer graphene flakes that present rhombohedral (ABC) stacking…

Mesoscale and Nanoscale Physics · Physics 2020-08-26 Jean Paul Nery , Matteo Calandra , Francesco Mauri