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We have performed a first-principles density functional theory investigation of the penetration of helium atoms through a graphene monolayer with defects. The relaxation of the graphene layer caused by the incoming helium atoms does not…

Materials Science · Physics 2009-11-13 O. Leenaerts , B. Partoens , F. M. Peeters

We report experimentally and theoretically the behavior of freestanding graphene subject to bombardment of energetic ions, investigating the ability of large-scale patterning of freestanding graphene with nanometer sized features by focused…

Mesoscale and Nanoscale Physics · Physics 2016-05-04 Jakob Buchheim , Roman M. Wyss , Ivan Shorubalko , Hyung Gyu Park

In this review we highlight recent theoretical and experimental work on sublattice asymmetric doping of impurities in graphene, with a focus on substitutional Nitrogen dopants. It is well known that one current limitation of graphene in…

Mesoscale and Nanoscale Physics · Physics 2014-11-13 James A. Lawlor , Mauro S. Ferreira

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…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 M. M. Ugeda , D. Fernández-Torre , I. Brihuega , P. Pou , A. J. Martínez-Galera , R. Pérez , J. M. Gómez-Rodríguez

The burgeoning field of atomic level material control holds great promise for future breakthroughs in quantum and memristive device manufacture and fundamental studies of atomic-scale chemistry. Realization of atom-by atom control of matter…

Materials Science · Physics 2018-08-06 Ondrej Dyck , Songkil Kim , Sergei V. Kalinin , Stephen Jesse

Results of first principles modelling of interactions graphene and graphite with iron impurities predict the colossal difference between these two carbon allotropes. Insertion of the iron atoms between the planes of graphite is much more…

Materials Science · Physics 2015-05-20 Danil W. Boukhvalov

The extreme sensitivity of 2D materials to defects and nanostructure requires precise imaging techniques to verify presence of desirable and absence of undesirable features in the atomic geometry. Helium-ion beams have emerged as a…

Materials Science · Physics 2022-05-19 Alina Kononov , Alexandra Olmstead , Andrew D. Baczewski , Andre Schleife

By combining classical molecular dynamics simulations and density functional theory total energy calculations, we study the possibility of doping graphene with B/N atoms using low-energy ion irradiation. Our simulations show that the…

Materials Science · Physics 2015-03-18 E. H. Åhlgren , J. Kotakoski , A. V. Krasheninnikov

The direct manipulation of individual atoms in materials using scanning probe microscopy has been a seminal achievement of nanotechnology. Recent advances in imaging resolution and sample stability have made scanning transmission electron…

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

Graphene is a single layer of carbon atoms arranged in a honeycomb lattice with remarkable mechanical and electrical properties. Regarded as the thinnest and narrowest conductive mesh, it has drastically different transmission behaviours…

Graphene and its heterostructures exhibit interesting electronic properties and are explored for quantum spin Hall effect(QSHE) and magnetism based device applications. In present work, we propose a heterostructure of graphene encapsulated…

Materials Science · Physics 2019-10-07 Mohammed Ghadiyali , Sajeev Chacko

The remarkable electronic properties of graphene have fueled the vision of a graphene-based platform for lighter, faster and smarter electronics and computing applications. One of the challenges is to devise ways to tailor its electronic…

Substituting heteroatoms and non-benzenoid carbons into nanographene structure offers an unique opportunity for atomic engineering of electronic properties. Here we show the bottom-up synthesis of graphene nanoribbons (GNRs) with embedded…

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…

Materials Science · Physics 2011-04-08 Rocco Martinazzo , Simone Casolo , Gian Franco Tantardini

Recent experiments have revealed the possibility of precise electron beam manipulation of silicon impurities in graphene. Motivated by these findings and studies on metal surface quantum corrals, the question arises what kind of embedded Si…

Materials Science · Physics 2017-10-20 Daryoush Nosraty-Alamdary , Jani Kotakoski , Toma Susi

The vertical integration of multiple two-dimensional (2D) materials in heterostructures, held together by van der Waals forces, has opened unprecedented possibilities for modifying the (opto-)electronic properties of nanodevices. Graphene,…

Isolated hydrogen atoms absorbed on graphene are predicted to induce magnetic moments. Here we demonstrate that the adsorption of a single hydrogen atom on graphene induces a magnetic moment characterized by a ~20 meV spin-split state at…

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

Isolated, atomically thin conducting membranes of graphite, called graphene, have recently been the subject of intense research with the hope that practical applications in fields ranging from electronics to energy science will emerge.…

Mesoscale and Nanoscale Physics · Physics 2010-09-17 S. Garaj , W. Hubbard , A. Reina , J. Kong , D. Branton , J. A. Golovchenko