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The wavefront dislocation is an important and ubiquitous phenomenon in wave fields. It is closely related to the phase singularity in a wave function. Some recent studies have verified that the wavefront dislocations in the local density of…
Ab initio density functional theory (DFT) simulations were used to investigate an influence of electric field, parallel to single and multilayer graphene on its electron dispersion relations close to K point. It was shown that for both…
The recent discovery of methods to isolate graphene, a one-atom-thick layer of crystalline carbon, has raised the possibility of a new class of nano-electronics devices based on the extraordinary electrical transport and unusual physical…
Strain, both naturally occurring and deliberately engineered, can have a considerable effect on the structural and electronic properties of 2D and layered materials. Uniaxial or biaxial heterostrain modifies the stacking arrangement of…
We analyze the phase diagram of multilayer-graphene sandwiched between identical transition metal dichalcogenides. Recently realized in all van-der-Wall heterostructures, these sandwiches induce sizable (1-15 meV) spin orbit coupling in the…
Building on discoveries in graphene and two-dimensional (2D) transition metal dichalcogenides, van der Waals (VdW) layered heterostructures - stacks of such 2D materials - are being extensively explored with resulting new discoveries of…
This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properties are greatly diversified by the number of layers, the…
Low-density, highly porous graphene/graphene oxide (GO) based-foams have shown high performance in energy absorption applications, even under high compressive deformations. In general, foams are very effective as energy dissipative…
We demonstrate that stacking layered materials allows a novel type of strain engineering where each layer is strained independently, which we call heterostrain. We combine detailed structural and spectroscopic measurements with…
Following recently published study of Prezhdo and coworkers (JPC Letters, 2014, 5, 4129-4133), we report a systematic investigation of how monovalent and divalent ions influence valence electronic structure of graphene. Pure density…
Graphene-metal compound structure has been reported as a novel and outstanding component used in electrical and optical devices. We report on a first-principles study of graphene-cu compound structure, showing its capacity of converting…
Deformations in graphene systems are central elements in the novel field of {\it straintronics}. Various strain geometries have been proposed to produce specific properties but their experimental realization has been limited. Because…
Engineering two-dimensional material heterostructures by combining the best of different materials in one ultimate unit can offer a plethora of opportunities in condensed matter physics. Here, in the van der Waals heterostructures of the…
The electronic properties of van der Waals (vdW) structures can be substantially modified by the moire superlattice potential, which strongly depends on the twist angle among the compounds. In twisted bilayer graphene (TBG), two low-energy…
In the present work, first-principles calculations based on the density functional theory (DFT), GW approximation and Bethe-Salpeter equation (BSE) are performed to study the electronic and optical properties of penta-graphene (PG)…
Reduced graphene oxide (rGO) is a bulk-processable quasi-amorphous 2D material with broad spectral coverage and fast electronic response. rGO sheets are suspended in a polymer matrix and sequentially photoreduced while measuring the…
We present ab initio calculations of the bandstructure of graphene and of short zigzag graphene nanoribbons by the screened-exchange-LDA method (sX-LDA) within the framework of density functional theory (DFT). The inclusion of non-local…
The van-der-Waals stacking technique enables the fabrication of heterostructures, where two conducting layers are atomically close. In this case, the finite layer thickness matters for the interlayer electrostatic coupling. Here we…
We present a comprehensive study of the band structure of two- and three-dimensional hexagonal layered materials using Landau Level optical Hall effect spectroscopy investigations, employing graphene and graphite as model systems. We study…
In great contrast to the numerous discoveries of superconductivity in layer-stacked graphene systems, the absence of superconductivity in the simplest and cleanest monolayer graphene remains a big puzzle. Here, through realistic computation…