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A van der Waals (vdW) density functional was implemented in the mixed basis approach previously developed for studying two dimensional systems, in which the vdW interaction plays an important role. The basis functions here are taken to be…

Computational Physics · Physics 2017-12-27 Chung-Yuan Ren , Yia-Chung Chang , Chen-Shiung Hsue

The possibility to control the commensurability and distance between graphene layers separated by a dielectric spacer is considered by the example of a heterostructure consisting of double-layer graphene separated by atomic layers of argon.…

Mesoscale and Nanoscale Physics · Physics 2013-09-24 Andrey M. Popov , Irina V. Lebedeva , Andrey A. Knizhnik , Yurii E. Lozovik , Boris V. Potapkin

Graphene is susceptible to morphological instabilities such as wrinkles and folds, which result from the imposition of thermo-mechanical stresses upon cooling from high temperatures and/ or under biaxial loading. A particular pattern…

We study the quantum many-body ground states of electrons on the half-filled honeycomb lattice with short- and long-ranged density-density interactions as a model for graphene. To this end, we employ the recently developed truncated-unity…

Strongly Correlated Electrons · Physics 2017-12-06 David Sánchez de la Peña , Julian Lichtenstein , Carsten Honerkamp , Michael M. Scherer

In vivo measurement of the mechanical properties of thin-walled soft tissues (e.g., mitral valve, artery and bladder) and in situ mechanical characterization of thin-walled artificial soft biomaterials in service are of great challenge and…

Soft Condensed Matter · Physics 2020-09-02 Guo-Yang Li , Qiong He , Robert Mangan , Guoqiang Xu , Chi Mo , Jianwen Luo , Michel Destrade , Yanping Cao

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…

Materials Science · Physics 2025-09-11 Benedict Saunders , Lukas Hörmann , Reinhard J. Maurer

The emerging interest in van der Waals heterostructures as new materials for opto-electronics and photonics poses questions about their stability and structure-property relations. In the framework of density-functional and many-body…

Artificial graphene consisting of honeycomb lattices other than the atomic layer of carbon has been shown to exhibit electronic properties similar to real graphene. Here, we reverse the argument to show that transport properties of real…

The intercalation of an oxide barrier between graphene and its metallic substrate for chem- ical vapor deposition is a contamination-free alternative to the transfer of graphene to dielectric supports, usually needed for the realization of…

We develop a theory for the optical conductivity of doped multilayer graphene including the effects of electron-electron interactions. Applying the quantum kinetic formalism, we formulate a set of pseudospin Bloch equations that governs the…

Mesoscale and Nanoscale Physics · Physics 2018-04-03 Xiao Li , Wang-Kong Tse

Graphene, a two-dimensional (2D) material with unique electronic properties, appears to be an ideal object for the application of surface-science methods. Among them, a family of scanning probe microscopy methods (STM, AFM, KPFM) and the…

Materials Science · Physics 2015-03-30 Yuriy Dedkov , Elena Voloshina , Mikhail Fonin

We present exemplary results of extensive studies of mechanical, electronic and transport properties of covalent functionalization of graphene monolayers (GML) with -NH2. We report new results of ab initio studies of covalent…

Materials Science · Physics 2014-01-24 Karolina Z. Milowska , Jacek A. Majewski

It is significant to prepare large area of high quality graphene for the study of the characteristics of graphene and the research of the nano-devices based on graphene. This paper summarizes the experiment progresses and mechanism of…

Mesoscale and Nanoscale Physics · Physics 2012-03-01 Tian Yuan , Zhao Qian-Ying , Hu Jing , Zhou Chen , Miao Ling , Jiang Jian-Jun

We examine the fracture mechanics of tearing graphene. We present a molecular dynamics simulation of the propagation of cracks in clamped, free-standing graphene as a function of the out-of-plane force. The geometry is motivated by…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Maria J. B. Moura , Michael Marder

Graphene nanowiggles (GNW) are graphene-based nanostructures obtained by making alternated regular cuts in pristine graphene nanoribbons. GNW were recently synthesized and it was demonstrated that they exhibit tunable electronic and…

Materials Science · Physics 2017-02-06 Rafael A. Bizao , Tiago Botari , Eric Perim , Nicola M. Pugno , Douglas S. Galvao

Metallenes are atomically thin, nonlayered two-dimensional materials. While they have appealing properties, their isotropic metallic bonding makes their stabilization difficult and presents considerable challenges to their synthesis and…

Materials Science · Physics 2026-01-09 Mohammad Bagheri , Pekka Koskinen

The production of multiple types of graphene, such as free standing, epitaxial graphene on silicon carbide and metals, graphene in solution, chemically grown graphene-like molecules, various graphene nanoribbons, and graphene oxide with…

Materials Science · Physics 2013-01-14 D. W. Boukhvalov

Graphene-based devices have shown great promise for several applications. For graphene devices to be used in real-world systems, it is necessary to demonstrate competitive device performance, repeatability of results, reliability, and a…

We report on the fabrication and operation of a multi-element vibrational structure consisting of two graphene mechanical resonators coupled by a nanotube beam. The whole structure is suspended. Each graphene resonator is clamped by two…

Mesoscale and Nanoscale Physics · Physics 2013-10-22 I. Tsioutsios , J. Moser , J. A. Plaza , A. Bachtold

In this paper, a cell-based smoothed finite element method with discrete shear gap technique for triangular ele- ments is employed to study the linear flutter characteristics of functionally graded material (FGM) flat panels. The influence…

Numerical Analysis · Mathematics 2013-09-04 Sundararajan Natarajan , Karthik Kaleeswaran , Ganapathi Manickam
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