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The advent of graphene created a revolution in materials science. Because of this there is a renewed interest in other carbon-based structures. Graphene is the ultimate (just one atom thick) membrane. It has been proposed that graphene can…

Mesoscale and Nanoscale Physics · Physics 2017-01-24 Vinicius Splugues , Pedro Alves da Silva Autreto , Douglas S. Galvao

We use density functional theory to determine the equilibrium shape of graphene flakes, through the calculation of the edge orientation dependence of the edge energy and edge stress of graphene nanoribbons. The edge energy is a nearly…

Mesoscale and Nanoscale Physics · Physics 2011-08-08 Chee Kwan Gan , David J. Srolovitz

The shift from fossil fuels to renewable energy sources is essential for reducing global carbon emissions and addressing climate change. Developing advanced materials for efficient hydrogen storage enables sustainable energy solutions in…

Graphene is intrinsically non-flat and corrugates randomly. Since the corrugating physics of atomically-thin graphene is strongly tied to its electronics properties, randomly corrugating morphology of graphene poses significant challenge to…

Mesoscale and Nanoscale Physics · Physics 2011-11-10 Teng Li

A novel electrochemical means to generate atomic hydrogen, simplifying the synthesis and controllability of graphane formation on graphene is presented. High quality, vacuum grown epitaxial graphene (EG) was used as starting material for…

The electronic properties of graphene can be significantly influenced by mechanical strain. One practical approach to induce strain in graphene is to transfer this atomically thin membrane onto pre-patterned substrates with specific…

Graphene, a two-dimensional monolayer of sp2-bonded carbon atoms in a honeycomb lattice, possesses exceptional electronic, mechanical, and quantum properties, making it highly attractive for energy storage, spintronics, and…

Materials Science · Physics 2025-12-30 Chien-Hsu Chen , Huan Niu , Hung-Kai Yu , Tsung Te Lin , Yao-Tung Hsu

The ultimate surface exposure provided by graphene monolayer makes it the ideal sensor platform but also exposes its intrinsic properties to any environmental perturbations. In this work, we demonstrate that the charge carrier density of…

Electronic properties of two-dimensional graphene superlattice made with partial hydrogenation were thoroughly studied via Density Functional Tight Binding approach (DFTB) which incorporates the tight-binding method into the density…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Ming Yang , Argo Nurbawono , Chun Zhang , Ariando , Yuan Ping Feng

Phosphorene has been attracted intense interest due to its unexpected high carrier mobility and distinguished anisotropic optoelectronic and electronic properties. In this work, we unraveled strain engineered phosphorene as a photocatalyst…

Materials Science · Physics 2014-11-25 Baisheng Sa , Yan-Ling Li , Jingshan Qi , Rajeev Ahuja , Zhimei Sun

Electrostatic gating offers elegant ways to simultaneously strain and dope atomically thin membranes. Here, we report on a detailed \textit{in situ} Raman scattering study on graphene, suspended over a Si/SiO$_2$ substrate. In such a…

Mesoscale and Nanoscale Physics · Physics 2017-01-30 Dominik Metten , Guillaume Froehlicher , Stéphane Berciaud

Many of the properties of graphene are tied to its lattice structure, allowing for tuning of charge carrier dynamics through mechanical strain. The graphene electro-mechanical coupling yields very large pseudomagnetic fields for small…

Mesoscale and Nanoscale Physics · Physics 2016-01-06 Shuze Zhu , Joseph A. Stroscio , Teng Li

Here, we report on controlling strain in graphene by trapping molecules at the graphene-substrate interface, leveraging molecular dipole moments. Spectroscopic and transport measurements show that strain correlates with the dipole moments…

Mesoscale and Nanoscale Physics · Physics 2025-03-24 Pawan Kumar Srivastava , Vedanki Khandelwal , Ramesh Reddy , Kartick Tarafder , Subhasis Ghosh

Hydrogen is a key player in global strategies to reduce greenhouse gas emissions. In order to make hydrogen a widely-used fuel, we require more efficient methods of storing it than the current standard of pressurized cylinders. An…

Materials Science · Physics 2025-01-14 Yasmine S. Al-Hamdani , Andrea Zen , Angelos Michaelides , Dario Alfè

The folding of paper, hide, and woven fabric has been used for millennia to achieve enhanced articulation, curvature, and visual appeal for intrinsically flat, two-dimensional materials. For graphene, an ideal two-dimensional material,…

Hydrogenation has proven to be an effective tool to open the bandgap of graphene. In the present density functional study we demonstrate that single-side-hydrogenated graphene is a semiconductor with an indirect bandgap of 1.89 eV, in…

Materials Science · Physics 2011-03-01 Bhalchandra S. Pujari , Sergey Gusarov , Michael Brett , Andriy Kovalenko

We investigate the electromechanical coupling in 2d materials. For non-Bravais lattices, we find important corrections to the standard macroscopic strain - microscopic atomic-displacement theory. We put forward a general and systematic…

Mesoscale and Nanoscale Physics · Physics 2016-02-03 Daniel Midtvedt , Caio H. Lewenkopf , Alexander Croy

We report a strain-controlled tuning of magnetism in transition-metal-atom-decorated graphene. Our first-principles calculations demonstrate that strain can lead to a sudden change in the magnetic configuration of a transition metal (TM)…

Mesoscale and Nanoscale Physics · Physics 2011-08-09 Bing Huang , Jaejun Yu , Su-Huai Wei

Strain engineering is a promising approach for suppressing the OFF-state conductance in graphene-based devices that arises from Klein tunnelling. In this work, we derive a comprehensive tight-binding Hamiltonian for strained graphene that…

Mesoscale and Nanoscale Physics · Physics 2021-08-25 Maverick Chauwin , Zhuo Bin Siu , Mansoor Bin Abdul Jalil

Straining graphene results in the appearance of a pseudo-magnetic field which alters its local electronic properties. Applying a pressure difference between the two sides of the membrane causes it to bend/bulge resulting in a resistance…

Mesoscale and Nanoscale Physics · Physics 2017-08-03 S. P. Milovanovic , M. Z. Tadic , F. M. Peeters
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