Graphene allotropes: Graphene allotropes
About: This article is published in Physica Status Solidi B-basic Solid State Physics.The article was published on 2011-08-01. It has received 363 citations till now. The article focuses on the topics: Graphene.
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TL;DR: It is shown that penta-graphene, composed of only carbon pentagons and resembling Cairo pentagonal tiling, is dynamically, thermally, and mechanically stable, and exhibits negative Poisson's ratio, a large band gap, and an ultrahigh mechanical strength.
Abstract: A 2D metastable carbon allotrope, penta-graphene, composed entirely of carbon pentagons and resembling the Cairo pentagonal tiling, is proposed. State-of-the-art theoretical calculations confirm that the new carbon polymorph is not only dynamically and mechanically stable, but also can withstand temperatures as high as 1000 K. Due to its unique atomic configuration, penta-graphene has an unusual negative Poisson’s ratio and ultrahigh ideal strength that can even outperform graphene. Furthermore, unlike graphene that needs to be functionalized for opening a band gap, penta-graphene possesses an intrinsic quasi-direct band gap as large as 3.25 eV, close to that of ZnO and GaN. Equally important, penta-graphene can be exfoliated from T12-carbon. When rolled up, it can form pentagon-based nanotubes which are semiconducting, regardless of their chirality. When stacked in different patterns, stable 3D twin structures of T12-carbon are generated with band gaps even larger than that of T12-carbon. The versatility of penta-graphene and its derivatives are expected to have broad applications in nanoelectronics and nanomechanics.
1,060 citations
TL;DR: A state-of-the-art research into graphdiynes and graphynes is summarized, with a focus on the latest theoretical and experimental results.
Abstract: Flat carbon (sp(2) and sp) networks endow the graphdiyne and graphyne families with high degrees of π-conjunction, uniformly distributed pores, and tunable electronic properties; therefore, these materials are attracting much attention from structural, theoretical, and synthetic scientists wishing to take advantage of their promising electronic, optical, and mechanical properties. In this Review, we summarize a state-of-the-art research into graphdiynes and graphynes, with a focus on the latest theoretical and experimental results. In addition to the many theoretical predictions of the potential properties of graphdiynes and graphynes, we also discuss experimental attempts to synthesize and apply graphdiynes in the areas of electronics, photovoltaics, and catalysis.
868 citations
TL;DR: A closer look is taken at the growth of COFs from mere supramolecular structures to potential industrializable materials.
Abstract: Covalent organic frameworks (COFs) represent a new field of rapidly growing chemical research that takes direct inspiration from diverse covalent bonds existing between atoms. The success of linking atoms in two and three dimensions to construct extended framework structures moved the chemistry of COFs beyond the structures to methodologies, highlighting the possibility of prospective applications. Although structure to property relation in COFs has led to fascinating properties, chemical stability, processability and scalability were some of the important challenges that needed to be overcome for their successful implementation. In this Perspective, we take a closer look at the growth of COFs from mere supramolecular structures to potential industrializable materials.
702 citations
TL;DR: The most recent progress on graphene-related nanomaterials, including doped graphene and derived graphene nanoribbons, graphene oxide, graphane, fluorographene, graphyne, graphdiyne, and porous graphene are discussed, and tuning their stability, electronic and magnetic properties by chemical functionalization is emphasized.
Abstract: In this review, we discuss the most recent progress on graphene-related nanomaterials, including doped graphene and derived graphene nanoribbons, graphene oxide, graphane, fluorographene, graphyne, graphdiyne, and porous graphene, from both experimental and theoretical perspectives, and emphasize tuning their stability, electronic and magnetic properties by chemical functionalization.
609 citations
TL;DR: It will be demonstrated that defects play a key role in graphene physicochemical properties and could even be critical to generate biocompatible materials.
Abstract: Defects are usually seen as imperfections in materials that could significantly degrade their performance. However, at the nanoscale, defects could be extremely useful since they could be exploited to generate novel, innovative and useful materials and devices. Graphene and graphene nanoribbons are no exception. This review therefore tries to categorize defects, emphasize their importance, introduce the common routes to study and identify them and to propose new ways to construct novel devices based on 'defective' graphene-like materials. In particular, we will discuss defects in graphene-like systems including (a) structural (sp(2)-like) defects, (b) topological (sp(2)-like) defects, (c) doping or functionalization (sp(2)- and sp(3)-like) defects and (d) vacancies/edge type defects (non-sp(2)-like). It will be demonstrated that defects play a key role in graphene physicochemical properties and could even be critical to generate biocompatible materials. There are numerous challenges in this emerging field, and we intend to provide a stimulating account which could trigger new science and technological developments based on defective graphene-like materials that could be introduced into other atomic layered materials, such as BN, MoS(2) and WS(2), not discussed in this review.
548 citations
References
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TL;DR: Monocrystalline graphitic films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands and they exhibit a strong ambipolar electric field effect.
Abstract: We describe monocrystalline graphitic films, which are a few atoms thick but are nonetheless stable under ambient conditions, metallic, and of remarkably high quality. The films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands, and they exhibit a strong ambipolar electric field effect such that electrons and holes in concentrations up to 10 13 per square centimeter and with room-temperature mobilities of ∼10,000 square centimeters per volt-second can be induced by applying gate voltage.
55,532 citations
TL;DR: In this paper, the basic theoretical aspects of graphene, a one-atom-thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations, are discussed.
Abstract: This article reviews the basic theoretical aspects of graphene, a one-atom-thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations. The Dirac electrons can be controlled by application of external electric and magnetic fields, or by altering sample geometry and/or topology. The Dirac electrons behave in unusual ways in tunneling, confinement, and the integer quantum Hall effect. The electronic properties of graphene stacks are discussed and vary with stacking order and number of layers. Edge (surface) states in graphene depend on the edge termination (zigzag or armchair) and affect the physical properties of nanoribbons. Different types of disorder modify the Dirac equation leading to unusual spectroscopic and transport properties. The effects of electron-electron and electron-phonon interactions in single layer and multilayer graphene are also presented.
20,824 citations
6,213 citations
IBM1
TL;DR: This work reviews the progress that has been made with carbon nanotubes and, more recently, graphene layers and nanoribbons and suggests that it could be possible to make both electronic and optoelectronic devices from the same material.
Abstract: The semiconductor industry has been able to improve the performance of electronic systems for more than four decades by making ever-smaller devices. However, this approach will soon encounter both scientific and technical limits, which is why the industry is exploring a number of alternative device technologies. Here we review the progress that has been made with carbon nanotubes and, more recently, graphene layers and nanoribbons. Field-effect transistors based on semiconductor nanotubes and graphene nanoribbons have already been demonstrated, and metallic nanotubes could be used as high-performance interconnects. Moreover, owing to the excellent optical properties of nanotubes it could be possible to make both electronic and optoelectronic devices from the same material.
2,274 citations
TL;DR: In this article, a density-functional-based scheme for determining the necessary parameters of common nonorthogonal tight-binding (TB) models within the framework of the linear-combination-of-atomic-orbitals formalism using the local density approximation (LDA).
Abstract: We present a density-functional-based scheme for determining the necessary parameters of common nonorthogonal tight-binding (TB) models within the framework of the linear-combination-of-atomic-orbitals formalism using the local-density approximation (LDA). By only considering two-center integrals the Hamiltonian and overlap matrix elements are calculated out of suitable input densities and potentials rather than fitted to experimental data. We can derive analytical functions for the C-C, C-H, and H-H Hamiltonian and overlap matrix elements. The usual short-range repulsive potential appearing in most TB models is fitted to self-consistent calculations performed within the LDA. The calculation of forces is easy and allows an application of the method to molecular-dynamics simulations. Despite its extreme simplicity, the method is transferable to complex carbon and hydrocarbon systems. The determination of equilibrium geometries, total energies, and vibrational modes of carbon clusters, hydrocarbon molecules, and solid-state modifications of carbon yield results showing an overall good agreement with more sophisticated methods.
1,854 citations