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Theoretical calculations, based on hybrid exchange density functional theory, are used to show that in graphene a periodic array of defects generates a ferromagnetic ground state at room temperature for unexpectedly large defect…

材料科学 · 物理学 2009-11-13 L. Pisani , B. Montanari , N. M. Harrison

We provide a thorough study of a carbon divacancy, a fundamental but almost unexplored point defect in graphene. Low temperature scanning tunneling microscopy (STM) imaging of irradiated graphene on different substrates enabled us to…

We have carried out ab initio electronic structure calculations on graphane (hydrogenated graphene) with single and double vacancy defects. Our analysis of the density of states reveal that such vacancies induce the mid gap states and…

材料科学 · 物理学 2010-02-11 Bhalchandra S. Pujari , D. G. Kanhere

Ab initio calculations indicate that topological-defect networks in graphene display the full variety of single-particle electronic structures, including Dirac-fermion null-gap semiconductors, as well as metallic and semiconducting systems…

介观与纳米尺度物理 · 物理学 2010-09-10 Joice da Silva-Araújo , H. Chacham , R. W. Nunes

While crystalline two-dimensional materials have become an experimental reality during the past few years, an amorphous 2-D material has not been reported before. Here, using electron irradiation we create an sp2-hybridized one-atom-thick…

材料科学 · 物理学 2011-03-22 J. Kotakoski , A. V. Krasheninnikov , U. Kaiser , J. C. Meyer

Graphene, being one-atom thick, is extremely sensitive to the presence of adsorbed atoms and molecules and, more generally, to defects such as vacancies, holes and/or substitutional dopants. This property, apart from being directly usable…

材料科学 · 物理学 2011-04-08 Rocco Martinazzo , Simone Casolo , Gian Franco Tantardini

We show that patterned defects can be used to disrupt the sub-lattice symmetry of graphene so as to open up a band gap. This way of modifying graphene's electronic structure does not rely on external agencies, the addition of new elements…

介观与纳米尺度物理 · 物理学 2010-09-09 David J. Appelhans , Zhibin Lin , Mark T. Lusk

Antidot lattices, defined on a two-dimensional electron gas at a semiconductor heterostructure, are a well-studied class of man-made structures with intriguing physical properties. We point out that a closely related system, graphene sheets…

介观与纳米尺度物理 · 物理学 2008-04-04 Thomas G. Pedersen , Christian Flindt , Jesper Pedersen , Niels Asger Mortensen , Antti-Pekka Jauho , Kjeld Pedersen

Graphene has been studied in detail due to its mechanical, electrical, and thermal properties. It is well documented that the introduction of dopants or defects in the lattice can be used to tune material properties for a specific…

材料科学 · 物理学 2025-09-11 Benedict Saunders , Lukas Hörmann , Reinhard J. Maurer

The recent discovery of methods to isolate graphene, a one-atom-thick layer of crystalline carbon, has raised the possibility of a new class of nano-electronics devices based on the extraordinary electrical transport and unusual physical…

介观与纳米尺度物理 · 物理学 2008-10-02 Xu Du , Ivan Skachko , Anthony Barker , Eva Y. Andrei

Graphene in the presence of a strong external magnetic field is a unique attraction for investigations of the fractional quantum Hall (fQH) states with odd and even denominators of the fraction. Most of the attempts to understand Graphene…

强关联电子 · 物理学 2019-09-25 Saurabh Maiti , Tigran Sedrakyan

Graphane is a two-dimensional system consisting of a single layer of fully saturated (sp$^3$ hybridization) carbon atoms. In an ideal graphane structure C-H bonds exhibit an alternating pattern (up and down with relation to the plane…

材料科学 · 物理学 2009-10-23 Marcelo Z. S. Flores , Pedro A. S. Autreto , Sergio B. Legoas , Douglas S. Galvao

Silicon represents a common intrinsic impurity in graphene, commonly bonding to either three or four carbon neighbors respectively in a single or double carbon vacancy. We investigate the effect of the latter defect (Si-C$_4$) on the…

Defects in the lattice are of primal importance to tune graphene chemical, thermal and electronic properties. Electron-beam irradiation is an easy method to induce defects in graphene following pre-designed patterns, but no systematic study…

材料科学 · 物理学 2023-06-28 Nicola Melchioni , Luca Bellucci , Alessandro Tredicucci , Federica Bianco

Using a tight-binding model, we study a line defect in graphene where a bulk energy gap is opened by sublattice symmetry breaking. It is found that sublattice symmetry breaking may induce many configurations that correspond to different…

介观与纳米尺度物理 · 物理学 2013-03-05 Juntao Song , Haiwen Liu , Hua Jiang , Qing-feng Sun , X. C. Xie

Understanding the coupling of graphene with its local environment is critical to be able to integrate it in tomorrow's electronic devices. Here we show how the presence of a metallic substrate affects the properties of an atomically…

介观与纳米尺度物理 · 物理学 2015-05-27 M. M. Ugeda , D. Fernández-Torre , I. Brihuega , P. Pou , A. J. Martínez-Galera , R. Pérez , J. M. Gómez-Rodríguez

The electronic states occurring in a double vacancy defect for graphene nanoribbons have been calculated in detail based on a pyrene model. Extended ab initio calculations using the MR configuration interaction (MRCI) method have been…

化学物理 · 物理学 2016-11-08 Francisco B. C. Machado , Adélia J. A. Aquino , Hans Lischka

Fabrication of devices made by isolated Graphene or Graphene-like single layers (such as h-BN) has opened up possibility of examining highly correlated states of electron systems in parts of their phase diagram that is impossible to access…

强关联电子 · 物理学 2015-12-08 Bahman Roostaei

The development of high-energy and high-power density supercapacitors (SCs) is critical for enabling next-generation energy storage applications. Nanocarbons are excellent SC electrode materials due to their economic viability, high-surface…

Graphene - a monolayer of carbon atoms densely packed into a hexagonal lattice - has one of the strongest possible atomic bonds and can be viewed as a robust atomic-scale scaffold, to which other chemical species can be attached without…

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