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Silicene, germanene and stanene likely to graphene are atomic thick material with interesting properties. We employed first-principles density functional theory (DFT) calculations to investigate and compare the interaction of Na or Li ions…

Materials Science · Physics 2017-04-17 B Mortazavi , A Dianat , G Cuniberti , T Rabczuk

In graphene based materials, the energy storage capacity is usually improved by rich porous structures with extremely high surface area. By utilizing surface corrugations, this work shows an alternative strategy to activate graphene…

Applied Physics · Physics 2021-10-07 Longsheng Zhong , Chang Wu , Xiaojing Zhu , Shulai Lei , Guijie Liang , Sepidar Sayyar , Biao Gao , Liangxu Lin

We present Doppler broadened gamma spectra, obtained using the newly developed advanced positron beam at the University of Texas at Arlington, from a sample consisting of 6 to 8 layers of graphene (MLG) on polycrystalline Cu. The kinetic…

Mesoscale and Nanoscale Physics · Physics 2020-01-29 A. H. Weiss , V. A. Chirayath , R. W. Gladen , A. J. Fairchild , M. D. Chrysler , P. A. Sterne , A. R. Koymen

We have fabricated a centimeter-size single-layer graphene device, with a gate electrode, which can modulate the transmission of terahertz and infrared waves. Using time-domain terahertz spectroscopy and Fourier-transform infrared…

The computational research that will be presented compares the coherent states of multiple layer graphene versus the coherent states of lithium ions diffused within this multilayer graphene. Unlike the prevailing research on graphene…

Mesoscale and Nanoscale Physics · Physics 2024-05-07 Donald C Boone

A specific structure of doped graphene with substituted silicon impurity is introduced and ab. initio density-functional approach is applied for energy band structure calculation of proposed structure. Using the band structure calculation…

Mesoscale and Nanoscale Physics · Physics 2011-03-01 Mohammad S. Sharif Azadeh , Alireza Kokabi , Mehdi Hosseini , Mehdi Fardmanesh

First-principles plane wave calculations predict that Li can be adsorbed on graphene forming a uniform and stable coverage on both sides. A significant part of the electronic charge of the Li-$2s$ orbital is donated to graphene and is…

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

Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…

Materials Science · Physics 2015-08-12 Jesper Toft Rasmussen , Tue Gunst , Peter Bøggild , Antti-Pekka Jauho , Mads Brandbyge

One of the most important developments in condensed matter physics in recent years has been the discovery and characterization of graphene. A two-dimensional layer of Carbon arranged in a hexagonal lattice, graphene exhibits many…

High Energy Physics - Lattice · Physics 2015-09-23 Christopher Winterowd , Carleton DeTar , Savvas Zafeiropoulos

Long lifetimes of hot carriers can lead to qualitatively new types of responses in materials. The magnitude and time scales for these responses reflect the mechanisms governing energy flows. We examine the microscopics of two processes…

Mesoscale and Nanoscale Physics · Physics 2015-04-06 Justin C. W. Song , Leonid S. Levitov

In recent years, phonon electron carrier dragging has emerged as an innovative approach for modulating energy transfer in low dimensional systems. In this Letter, we explore the fundamental mechanisms of electron-phonon coupling and the…

Mesoscale and Nanoscale Physics · Physics 2025-06-10 Houssem Rezgui

Spectroscopies that probe electronic excitations from core levels into unoccupied orbitals, such as X-ray absorption spectroscopy and electron energy loss spectroscopy, are widely used to gain insight into the electronic and chemical…

Materials Science · Physics 2022-09-12 Marcus Annegarn , Juhan Matthias Kahk , Johannes Lischner

In this letter, we propose hybrid metal-dielectric waveguides coupled to 2D materials that provide strong light-matter interaction at THz frequencies. We investigate the properties of the fundamental propagating modes and show that the…

Optics · Physics 2018-02-16 P. Huang , S. Massabeau , J. Tignon , S. Dhillon , A. Degiron , J. Mangeney

The distribution of net electric charge in graphene is investigated, using both a constitutive atomic charge-dipole interaction model and an approximate analytical solution to Laplace's equation. We demonstrate a strong size dependence of…

Mesoscale and Nanoscale Physics · Physics 2009-09-21 Zhao Wang , Robert W. Scharstein

Heat has always been a killing matter for traditional semiconductor machines. The underlining physical reason is that the intrinsic carrier density of a device made from a traditional semiconductor material increases very fast with a rising…

Materials Science · Physics 2016-04-21 Yan Yin , Zengguang Cheng , Li Wang , Kuijuan Jin , Wenzhong Wang

The remarkable electrical, optical and mechanical properties of graphene make it a desirable material for electronics, optoelectronics and quantum applications. A fundamental understanding of the electrical conductivity of graphene across a…

The effect of increased electron-density (from adsorbed Li atoms) in polyacenes and in nano-ribbons with zig-zag edge is discussed in terms of resonance theoretical considerations and in terms edge-localized frontier molecular orbitals. The…

Chemical Physics · Physics 2025-11-10 Yenni P. Ortiz , Douglas J. Klein , Thomas H. Seligman

We use spin-density-functional theory (SDFT) ab initio calculations to theoretically explore the possibility of achieving useful gate control over exchange coupling between cobalt clusters placed on a graphene sheet. By applying an electric…

Materials Science · Physics 2013-04-11 Hua Chen , Qian Niu , Zhenyu Zhang , Allan H. MacDonald

We propose a concentrated thermionic emission solar cell design, which demonstrates a high solar-to-electricity energy conversion efficiency larger than 10\% under 600 sun, by harnessing the exceptional electrical, thermal and radiative…

Applied Physics · Physics 2021-02-08 Xin Zhang , Xiaohang Chen , Jinchan Chen , Lay Kee Ang , Yee Sin Ang

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…