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Ab initio calculations indicate that the ground state for Ga adsorption on Al (100) is on-surface with local unit coverage. On Ga-coated Al (100), the bridge diffusion barrier for Al is large, but the Al$\rightarrow$Ga {\it exchange barrier…

mtrl-th · Physics 2009-10-30 Vincenzo Fiorentini , Donatella Fois , Sabrina Oppo

We present a theory to study gas molecules adsorption on armchair graphene nanoribbons (AGNRs) by applying the results of \emph{ab} \emph{initio} calculations to the single-band tight-binding approximation. In addition, the effect of edge…

Mesoscale and Nanoscale Physics · Physics 2010-06-04 Alireza Saffarzadeh

The electronic and transport properties of aluminum-graphene composite materials were investigated using ab initio plane wave density functional theory. The interfacial structure is reported for several configurations. In some cases, the…

Materials Science · Physics 2024-02-12 K. Nepal , C. Ugwumadu , K. N. Subedi , K. Kappagantula , D. A. Drabold

Implantation and subsequent behaviour of heavy noble gases (Ar, Kr, Xe) in few-layer graphene sheets and in nanodiamonds is studied both using computational methods and experimentally using X-ray absorption spectroscopy. X-ray absorption…

Mesoscale and Nanoscale Physics · Physics 2021-10-07 Andrey A. Shiryaev , Alexander L. Trigub , Ekaterina N. Voronina , Kristina O. Kvashnina , Valentin L. Bukhovets

We investigate imaging of moire structures in free-standing twisted bilayer graphene (TBG) carried out by transmission electron microscopy (TEM) in diffraction and in-line Gabor holography modes. Electron diffraction patterns of TBG…

Mesoscale and Nanoscale Physics · Physics 2018-11-30 Tatiana Latychevskaia , Conrad Escher , Hans-Werner Fink

The stability of graphene multivacancy systems is studied using Density Functional Theory (DFT) calculations. This work describes the evolution of the energy of formation per carbon atom for zigzag and armchair complementary figures -i.e.…

Materials Science · Physics 2013-12-19 Ricardo Faccio , Alvaro W. Mombrú

Though weak surface interactions and adsorption can play an important role in plasma processing and materials science, they are not necessarily simple to model. A boron adatom adsorbed on a graphene sheet serves as a case study for how…

Computational Physics · Physics 2024-01-08 S. Jubin , A. Rau , Y. Barsukov , S. Ethier , I. D. Kaganovich

Based on the first-principles plane wave calculations, we showed that Ca adsorbed on graphene can serve as a high-capacity hydrogen storage medium, which can be recycled by operations at room temperature. Ca is chemisorbed by donating part…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 C. Ataca , E. Akturk , S. Ciraci

Sodium atoms and clusters (N<5) on graphite (0001) are studied using density functional theory, pseudopotentials and periodic boundary conditions. A single Na atom is observed to bind at a hollow site 2.45 A above the surface with an…

Atomic and Molecular Clusters · Physics 2009-11-10 K. Rytkonen , J. Akola , M. Manninen

This article describes the optical properties of nanostructures composed of silver particles embedded into a gold matrix. In previous studies these materials were shown to exhibit temperature dependent transitions to a highly conductive and…

We report the synthesis of single and bi layer graphene films by low pressure chemical vapor deposition technique on Cu and Au substrates. The as grown films were characterized by transmission electron microscopy, scanning electron…

Materials Science · Physics 2021-09-06 Ch. Ravi Prakash Patel , K. Awasthi , Thaur Prasad Yadav

Graphene is a 2-dimensional material with high carrier mobility and thermal conductivity, suitable for high-speed electronics. Conduction and valence bands touch at the Dirac point. The absorptivity of single-layer graphene is 2.3%, nearly…

Mesoscale and Nanoscale Physics · Physics 2010-10-11 Marcus Freitag , Hsin-Ying Chiu , Mathias Steiner , Vasili Perebeinos , Phaedon Avouris

We present experimental results on the optical absorption spectra of epitaxial graphene from the visible to the terahertz (THz) frequency range. In the THz range, the absorption is dominated by intraband processes with a frequency…

We study the electronic transport properties of dual-gated bilayer graphene devices. We focus on the regime of low temperatures and high electric displacement fields, where we observe a clear exponential dependence of the resistance as a…

Mesoscale and Nanoscale Physics · Physics 2010-10-12 Thiti Taychatanapat , Pablo Jarillo-Herrero

The remarkable gapless and linear band structure of graphene opens up new carrier relaxation channels bridging the valence and the conduction band. These Auger scattering processes change the number of charge carriers and can give rise to a…

Mesoscale and Nanoscale Physics · Physics 2017-01-17 Ermin Malic , Torben Winzer , Florian Wendler , Andreas Knorr

It is commonly believed that weak light-matter interactions in low-mobility graphene dramatically limits tunability of graphene-based optoelectronic devices, such as tunable absorbers or switches. In this paper, we develop and use a simple…

Optics · Physics 2018-12-11 Xuchen Wang , Sergei A. Tretyakov

Faster diffusion of cations along grain boundaries is reported in the literature for a variety of acceptor-doped $AB\mathrm{O}_{3}$ perovskite-type oxides. The ratio $r$ of the activation enthalpy of grain-boundary diffusion ($\Delta…

Materials Science · Physics 2026-04-10 Timon F. Kielgas , Roger A. De Souza

We study the carrier dynamics in epitaxially grown graphene in the range of photon energies from 10 - 250 meV. The experiments complemented by microscopic modeling reveal that the carrier relaxation is significantly slowed down as the…

Graphene is widely recognized for its ultrafast and broadband photocurrent response, but whether the broadband ultrafast characteristics are preserved at mid-infrared wavelengths with photon energies below the optical phonon energy remains…

We present a microscopic explanation of the controversially discussed transient negative differential transmission observed in degenerate optical pump-probe measurements in graphene. Our approach is based on the density matrix formalism…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 Faris Kadi , Torben Winzer , Ermin Malic , Andreas Knorr