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A great efficacy of molecular quantum chemistry applied to basic graphene problems has been recently demonstrated by the authors when studying the formation of peculiar composites between carbon nanotubes and graphene as well as considering…

Mesoscale and Nanoscale Physics · Physics 2011-02-07 Elena F Sheka , Nadezhda A Popova

Nanocomposite material proves to be the best candidate to match todays technological need as fascinating properties can be achieved by combining two or more nanomaterials. Among various nanomaterials, graphene is able to stand out far ahead…

Applied Physics · Physics 2019-11-06 Joydip Sengupta

The chemical production of graphene as well as its controlled wet- chemical modification is a challenge for synthetic chemists and the characterization of reaction products requires sophisticated analytic methods. In this review we first…

Chemical Physics · Physics 2018-05-09 Siegfried Eigler , Andreas Hirsch

Here we present an overview of recent fundamental studies on the nature of the interaction between individual metal atoms and metal clusters and the conjugated surfaces of graphene and carbon nanotube with a particular focus on the…

Materials Science · Physics 2014-09-19 Santanu Sarkar , Robert Cort Haddon

Graphene has been reported with record-breaking properties which have opened up huge potential applications. Considerable amount of researches have been devoted to manipulating or modify the properties of graphene to target a more smart…

Materials Science · Physics 2018-03-20 Kang Xia , Haifei Zhan , Yuantong Gu

Allotropes of carbon, including one-dimensional carbon nanotubes and two-dimensional graphene sheets, continue to draw attention as promising platforms for probing the physics of electrons in lower dimensions. Recent research has shown that…

Mesoscale and Nanoscale Physics · Physics 2020-05-20 Benedetta Flebus , Allan H. MacDonald

A nano-stitching method is proposed and investigated to modify graphene bilayers. Based this method, four types of low energy carbon allotropes, "wormhole graphene" allotropoes, are obtained and their structures, stabilities and electronic…

Materials Science · Physics 2015-05-18 Chaoyu He , JinLi , Jianxin Zhong

The current paper presents the third part of the study devoted to composites formed by fullerene C60 and two graphene nanosheets ([C60+(5,5)] and ([C60+(9, 8)] graphene nanobuds). The formation of composites is considered from the basic…

Materials Science · Physics 2011-06-06 E. F. Sheka , L. Kh. Shaymardanova

The correlation of odd electrons in graphene turns out to be significant so that the species should be attributed to correlated ones. This finding profoundly influences the computational strategy addressing it to multireference…

Materials Science · Physics 2012-01-27 E. F. Sheka

Graphene is a truly two-dimensional atomic crystal with exceptional electronic and mechanical properties. Whereas conventional bulk and thin-film materials have been studied extensively, the key mechanical properties of graphene, such as…

Materials Science · Physics 2010-05-25 Dipanjan Sen , Kostya S. Novoselov , Pedro M. Reis , Markus J. Buehler

Graphene nanoribbons with sub-nanometer widths are extremely interesting for nanoscale electronics and devices as they combine the unusual transport properties of graphene with the opening of a band gap due to quantum confinement in the…

Large area graphene sheets grown by chemical vapor deposition can potentially be employed as a transparent electrode in photovoltaics if their sheet resistance can be significantly lowered, without any loss in transparency. Here, we report…

Materials Science · Physics 2015-12-16 Ahmed A. Maarouf , Amal Kasry , Bhupesh Chandra , Glenn J. Martyna

Carbon nanotubes are a feverishly-studied topic in the scientific community as of late. Mathematically, they can be modeled with a quantum graph. Here we consider a structure somewhat similar to carbon nanotubes, another quantum graph that…

Mathematical Physics · Physics 2016-01-26 Jeremy Tillay

Graphene nanoribbons (GNRs) make up an extremely interesting class of materials. On the one hand GNRs share many of the superlative properties of graphene, while on the other hand they display an exceptional degree of tunability of their…

Materials Science · Physics 2018-03-22 Martina Corso , Eduard Carbonell-Sanromà , Dimas G. de Oteyza

A systematic study is made on geometric, electronic and magnetic properties of one-dimensional graphene nanoribbons using the first-principles calculations. The feature-rich essential properties result from the various orbital…

Mesoscale and Nanoscale Physics · Physics 2022-06-23 Shih-Yang Lin , Ngoc Thanh Thuy Tran , Ming-Fa Lin

Nanosize pores can turn semimetallic graphene into a semiconductor and from being impermeable into the most efficient molecular sieve membrane. However, scaling the pores down to the nanometer, while fulfilling the tight structural…

Theoretical progress in graphene physics has largely relied on the application of a simple nearest-neighbor tight-binding model capable of predicting many of the electronic properties of this material. However, important features that…

Mesoscale and Nanoscale Physics · Physics 2019-04-03 Z. M. Abd El-Fattah , M. A. Kher-Elden , I. Piquero-Zulaica , F. J. Garcia de Abajo , J. E. Ortega

We perform ab initio calculations of charged graphene and single-wall carbon nanotubes (CNTs). A wealth of electromechanical behaviors is obtained: (1) Both nanotubes and graphene expand upon electron injection. (2) Upon hole injection,…

Materials Science · Physics 2009-11-07 M. Verissimo-Alves , Belita Koiller , H. Chacham , R. B. Capaz

Graphene, a two-dimensional crystal made of carbon atoms, provides a new and unexpected bridge between low and high-energy physics. The field has evolved very fast and very good reviews are already available in the literature. Graphene…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 Alberto Cortijo , Francisco Guinea , Maria A. H. Vozmediano

Carbon nanostructures, such as nanotubes and graphene nanoribbons, exhibit unique electronic and optical properties that make them very promising candidates for terahertz components. However, carbon nanotube and nanoribbon monolithic…

Mesoscale and Nanoscale Physics · Physics 2026-05-26 Vasil A. Saroka , Olivia Pulci , Marco D'Alessandro
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