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As a storage material for Li-ion batteries, graphene/molybdenum disulfide (Gr/MoS2) composites have been intensively studied in experiments. But the relevant theoretical works from first-principles are lacking. In the current work,…

Computational Physics · Physics 2015-07-23 Xiji Shao , Kedong Wang , Rui Pang , Xingqiang Shi

Electrically conductive, polymeric materials that maintain their conductivity even when under significant mechanical deformation are needed for actuator electrodes, conformable electromagnetic shielding, stretchable tactile sensors and…

Despite advancements in silicon-based anodes for high-capacity lithium-ion batteries, their widespread commercial adoption is still hindered by significant volume expansion during cycling, especially at high active mass loadings crucial for…

Using a combination of ultraviolet-vacuum ultraviolet reflectivity and spectroscopic ellipsometry, we observe a resonant exciton at an unusually high energy of 6.3eV in epitaxial graphene. Surprisingly, the resonant exciton occurs at room…

The two-dimensional electron gas at the LaTiO3/SrTiO3 or LaAlO3/SrTiO3 oxide interfaces becomes superconducting when the carrier density is tuned by gating. The measured resistance and superfluid density reveal an inhomogeneous…

We present ab-initio transport calculations for molecular junctions that include graphene as a protecting layer between a single molecule and gold electrodes. This vertical setup has recently gained significant interest in experiment for…

Mesoscale and Nanoscale Physics · Physics 2015-12-15 Falco Hüser , Gemma C. Solomon

The analysis is conducted to unveil how the non-adiabatic effects scale within the superconducting phase of lithium-decorated graphene (LiC$_{6}$). Based on the Eliashberg formalism it is shown that the non-adiabatic effects notably reduce…

Superconductivity · Physics 2023-02-01 Dominik Szczȩśniak

Using graphene as a tuneable optical material enables a series of optical devices such as switchable radar absorbers, variable infrared emissivity surfaces, or visible electrochromic devices. These devices rely on controlling the charge…

Applied Physics · Physics 2023-06-16 Xiaoxiao Yu , Gokhan Bakan , Hengyi Guo , M. Said Ergoktas , Pietro Steiner , Coskun Kocabas

Because of the dominant role of the surface of molecules and their individuality, molecules behave dis-tinctively in a confined space, which has far-reaching implications in many physical, chemical and bio-logical systems. Here, we…

Mesoscale and Nanoscale Physics · Physics 2014-04-29 DaeEung Lee , Gwanghyun Ahn , Sunmin Ryu

We combine {\em ab initio} density functional theory (DFT) structural studies with DFT-based nonequilibrium Green function calculations to investigate how the presence of non-hexagonal rings affects electronic transport in graphitic…

Mesoscale and Nanoscale Physics · Physics 2015-02-26 Zhen Zhu , Zacharias G. Fthenakis , David Tomanek

Graphene-derived nanomaterials are emerging as ideal candidates for postsilicon electronics. Elucidating the electronic interaction between an insulating substrate and few-layer graphene (FLG) films is crucial for device applications. Here,…

Materials Science · Physics 2009-05-08 Sujit S. Datta , Douglas R. Strachan , E. J. Mele , A. T. Charlie Johnson

Graphene, Silicene, $\mathrm{MoS}_2$ and other similar two-dimensional structures have unusual electronic properties that lend themselves to exotic device applications. These properties emanate from the fact that the electrons are endowed…

Mesoscale and Nanoscale Physics · Physics 2019-05-01 Sushanta Dattagupta , Manvendra Singh

The unique linear and massless band structure of graphene, in a purely two-dimensional Dirac fermionic structure, have led to intense research spanning from condensed matter physics to nanoscale device applications covering the electrical,…

Within the tight binding approximation, we study the dependence of the electronic band structure and of the optical conductivity of a graphene single layer on the modulus and direction of applied uniaxial strain. While the Dirac cone…

Mesoscale and Nanoscale Physics · Physics 2010-01-15 F. M. D. Pellegrino , G. G. N. Angilella , R. Pucci

The optical conductivity of graphene nanoribbons is analytical and exactly derived. It is shown that the absence of translation invariance along the transverse direction allows considerable intra-band absorption in a narrow frequency window…

Mesoscale and Nanoscale Physics · Physics 2012-09-21 F. Hipolito , A. J. Chaves , R. M. Ribeiro , M. I. Vasilevskiy , Vitor M. Pereira , N. M. R. Peres

2D materials provide a platform for strong light--matter interactions, creating wide-ranging design opportunities via new-material discoveries and new methods for geometrical structuring. We derive general upper bounds to the strength of…

Graphene is a very attractive material for broadband photodetection in hyperspectral imaging and sensing systems. However, its potential use has been hindered by tradeoffs between the responsivity, bandwidth, and operation speed of existing…

Applied Physics · Physics 2017-10-03 Semih Cakmakyapan , Ping Keng Lu , Aryan Navabi , Mona Jarrahi

Intercalation is a robust approach for modulating the properties of epitaxial graphene on SiC and stabilizing two-dimensional (2D) intercalant layers at the graphene/SiC interface. In this work, we present synchrotron-based angle resolved…

Mesoscale and Nanoscale Physics · Physics 2025-05-14 Bharti Matta , Philipp Rosenzweig , Kathrin Küster , Craig Polley , Ulrich Starke

We combine high-level theoretical and \emph{ab initio} understanding of graphite to develop a simple, parametrised force-field model of interlayer binding in graphite, including the difficult non-pairwise-additive coupled-fluctuation…

Materials Science · Physics 2013-11-25 Tim Gould , S. Lebègue , John F. Dobson

We have investigated the electronic structure of graphene supported on Re(0001) before and after the intercalation of one monolayer of Ag by means of angle-resolved photoemission spectroscopy measurements and density functional theory…

Materials Science · Physics 2014-01-20 M. Papagno , P. Moras , P. M. Sheverdyaeva , J. Doppler , A. Garhofer , F. Mittendorfer , J. Redinger , C. Carbone