相关论文: In situ functionalization of graphene
Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse high tech fields. Many of these applications…
Graphene, a thinnest material in the world, can form moire structures on different substrates, including graphite, h-BN, or metal surfaces. In such systems the structure of graphene, i. e. its corrugation, as well as its electronic and…
In this study, we employ a multi-scale computational modeling approach, combining density functional theory (DFT) and self-consistent charge density functional tight binding (SCC-DFTB), to investigate hydrogen (H2) production and…
Ab-initio calculations have been performed to study the geometry and electronic structure of boron (B) and nitrogen (N) doped graphene sheet. The effect of doping has been investigated by varying the concentrations of dopants from 2 % (one…
The active photonics based on the two-dimensional material graphene has attracted enormous interests for developing the tunable and compact optical devices with high efficiency. Here we integrate graphene into the Fano-resonant…
Graphynes offer a chemically heterogeneous $sp/sp^{2}$ carbon framework with distinct electronic regimes and site-selective reactivity. Here, Density Functional Theory and Reactive Molecular Dynamics Simulations are combined to evaluate…
We have investigated the effect of ambient gas pressure (Argon) used during thermal exfoliation of graphite oxide on the number of graphene sheets in the resulting graphene. The ambience gas Ar pressures used are 80, 25, 1 atmosphere and…
Based on the calculation and analysis of local Green functions of impurity atoms of low concentration in a two-dimensional graphene lattice, the conditions for the formation and characteristics of local discrete levels with energies lying…
We present in-situ Raman measurements of laser-induced oxidation in exfoliated single-layer graphene. By using high-power laser irradiation, we can selectively and in a controlled way initiate the oxidation process and investigate its…
We report semiconducting behavior of monolayer graphene enabled through plasma activation of substrate surfaces. The graphene devices are fabricated by mechanical exfoliation onto pre-processed SiO2/Si substrates. Contrary to pristine…
In rarefied atmospheric environments, where continuum fluid dynamics breaks down, aerodynamic drag is governed by gas-surface momentum exchange, making surface structure and chemistry key design knobs. Using molecular dynamics simulations,…
Since its first isolation in 2004, graphene has been found to host a plethora of unusual electronic transport phenomena, making it a fascinating system for fundamental studies in condensed-matter physics as well as offering tremendous…
Resolving the three-dimensional (3D) atomic geometry of free-standing graphene in real time is essential for understanding how intrinsic rippling governs its electronic properties. However, the low electron doses required to mitigate…
Raman spectroscopy, a fast and nondestructive imaging method, can be used to monitor the doping level in graphene devices. We fabricated chemical vapor deposition (CVD) grown graphene on atomically flat hexagonal boron nitride (hBN) flakes…
Graphene-based plasmonic devices are regarded to be suitable for a plethora of applications, ranging from mid-infrared to terahertz frequencies. In this regard, among the peculiarities associated with graphene, it is well known that…
For non-topological quantum materials, introducing defects can significantly alter their properties by modifying symmetry and generating a nonzero analytical index, thus transforming the material into a topological one. We present a method…
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…
We present a simple technique to fabricate graphene quantum dots in a cryostat. It relies upon the controlled rupture of a suspended graphene sheet subjected to the application of a large electron current. This results in the in-situ…
We simulate the optical and electrical responses in gallium-doped graphene. Using density functional theory with a local density approximation, we simlutate the electronic band structure and show the effects of impurity doping (0-3.91\%) in…
Patterning graphene into various mesoscopic devices such as nanoribbons, quantum dots, etc. by lithographic techniques has enabled the guiding and manipulation of graphene's Dirac-type charge carriers. Graphene, with well-defined strain…