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Understanding the effect of electric fields on the physical and chemical properties of two-dimensional (2D) nanostructures is instrumental in the design of novel electronic and optoelectronic devices. Several of those properties are…

介观与纳米尺度物理 · 物理学 2014-08-19 Elton J. G. Santos

Control over the optical properties of atomically thin two-dimensional (2D) layers, including those of transition metal dichalcogenides (TMDs), is needed for future optoelectronic applications. Remarkable advances have been achieved through…

We show that the electron-phonon coupling strength obtained from the slopes of the electronic energy vs. wavevector dispersion relations, as often done in analyzing angle-resolved photoemission data, can differ substantially from the actual…

The negatively charged boron vacancy (VB-) in hexagonal boron nitride (hBN) has been extensively investigated as it offers a novel playground for two-dimensional quantum sensing, with ultimate proximity to target samples. However, its…

A van der Waals (vdW) density functional was implemented in the mixed basis approach previously developed for studying two dimensional systems, in which the vdW interaction plays an important role. The basis functions here are taken to be…

计算物理 · 物理学 2017-12-27 Chung-Yuan Ren , Yia-Chung Chang , Chen-Shiung Hsue

We present a method to create and erase spatially resolved doping profiles in graphene-hexagonal boron nitride (hBN) heterostructures. The technique is based on photo-induced doping by a focused laser and does neither require masks nor…

We determine the electronic structure of a graphene sheet on top of a lattice-matched hexagonal boron nitride (h-BN) substrate using ab initio density functional calculations. The most stable configuration has one carbon atom on top of a…

We have performed a density functional study of graphene adsorbed on Au(111) surface using both a local density approximation and a semiempirical van der Waals approach proposed by Grimme, known as the DFT-D2 method. Graphene physisorbed on…

材料科学 · 物理学 2015-05-27 J. Slawinska , P. Dabrowski , I. Zasada

Graphite is a well-studied material with known electronic and optical properties. Graphene, on the other hand, which is just one layer of carbon atoms arranged in a hexagonal lattice, has been studied theoretically for quite some time but…

介观与纳米尺度物理 · 物理学 2015-05-13 F. Molitor , D. Graf , C. Stampfer , T. Ihn , K. Ensslin

Low-cost graphene sponge electrodes were functionalized with two-dimensional (2D) materials, i.e., borophene and hexagonal boron nitride (hBN), using a one-step, hydrothermal self-assembly method. Borophene and hBN-modified graphene sponge…

材料科学 · 物理学 2022-06-10 Elisabeth Cuervo Lumbaque , Luis Baptista-Piresa , Jelena Radjenovic

The electronic and optical properties of graphene nanoribbons under uniaxial periodic strain have been explored using various nearest-neighbor hopping patterns. It is found that by properly selecting hopping patterns, momentum-resolved gaps…

介观与纳米尺度物理 · 物理学 2024-11-05 Chunwen Zhang , W. X. Yan

Ultrafast electron thermalization - the process leading to Auger recombination, carrier multiplication via impact ionization and hot carrier luminescence - occurs when optically excited electrons in a material undergo rapid…

We investigate the van der Waals friction between graphene and an amorphous SiO$_2$ substrate. We find that due to this friction the electric current is saturated at a high electric field, in agreement with experiment. The saturation…

介观与纳米尺度物理 · 物理学 2014-09-02 A. I. Volokitin , B. N. J. Persson

Graphene is a mechanically robust 2D material promising for flexible optoelectronic applications. However, its electromagnetic properties under strain are experimentally poorly understood. Here we present the far-infrared transmission…

介观与纳米尺度物理 · 物理学 2017-05-22 Manisha Chhikara , Iaroslav Gaponenko , Patrycja Paruch , Alexey. B. Kuzmenko

Hexagonal boron nitride (hBN) is a van der Waals semiconductor with a wide bandgap of ~ 5.96 eV. Despite the indirect bandgap characteristics of hBN, charge carriers excited by high energy electrons or photons efficiently emit luminescence…

We report measurements of the electronic structure and surface morphology of exfoliated graphene on an insulating substrate using angle-resolved photoemission and low energy electron diffraction. Our results show that although exfoliated…

Graphene stacked in a Bernal configuration (60 degrees relative rotations between sheets) differs electronically from isolated graphene due to the broken symmetry introduced by interlayer bonds forming between only one of the two graphene…

介观与纳米尺度物理 · 物理学 2016-08-14 J. Hicks , M. Sprinkle , K. Shepperd , F. Wang , A. Tejeda , A. Taleb-Ibrahimi , F. Bertran , P. Le Fèvre , W. A. de Heer , C. Berger , E. H. Conrad

We report a Raman spectroscopy study of graphene field-effect transistors (GFET) with a controlled amount of defects introduced in graphene by exposure to electron-beam irradiation. Raman spectra are taken at T = 8 K over a range of back…

材料科学 · 物理学 2015-06-22 Isaac Childres , Luis A. Jauregui , Yong P. Chen

The electronic structure of the zero-gap two-dimensional graphene has a charge neutrality point exactly at the Fermi level that limits the practical application of this material. There are several ways to modify the Fermi-level-region of…

材料科学 · 物理学 2017-09-13 Elena Voloshina , Denis Usvyat , Martin Schuetz , Yuriy Dedkov , Beate Paulus

In this work, we present a systematic DFT investigation of the interaction between B-doped graphene and four selected metals: Mg and Zn, relevant for next-generation metal-ion batteries, and Cu and Pt, important for single-atom catalysis.…

材料科学 · 物理学 2026-03-17 Nikola Veličković , Natalia V. Skorodumova , Ana S. Dobrota
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