Related papers: Interfacial charge transfer influences thin-film p…
Chemical, mechanical, thermal and/or electronic properties of bulk or low-dimensional materials can be engineered by introducing structural defects to form novel functionalities. When using particles irradiation, these defects can be…
We present an alternative methodology for calculating the quasi-particle energy, energy loss, and optical spectra of a molecule deposited on graphene or a metallic substrate. To test the accuracy of the method it is first applied to the…
We demonstrate that electronic and magnetic properties of graphene can be tuned via proximity of multiferroic substrate. Our first-principles calculations performed both with and without spin-orbit coupling clearly show that by contacting…
Raman spectroscopy has become an essential technique to characterize and investigate graphene and many other two-dimensional materials. However, there still lacks consensus on the Raman signature and phonon dispersion of atomically thin…
We found an intrinsic redistribution of charge arises between epitaxial graphene, which has intrinsically n-type doping, and an undoped substrate. In particular, we studied in detail epitaxial graphene layers thermally elaborated on…
We have studied electrical transport and magnetic properties of epitaxial La_0.66 Sr_0.33 Mn O_3 thin films grown on different substrates having different lattice strains induced by different film-substrate lattice-mismatch. Both electrical…
Graphene, being one-atom thick, is extremely sensitive to the presence of adsorbed atoms and molecules and, more generally, to defects such as vacancies, holes and/or substitutional dopants. This property, apart from being directly usable…
The electronic transport properties of two junctions (BGB, GBG) made of borophene (B) and graphene (G) are investigated. Using the transfer matrix method with Chebyshev polynomials, we have studied single and multiple barriers in a…
By employing x-ray photoelectron spectroscopy (XPS), we have been able to establish the occurrence of charge-transfer doping in few-layer graphene covered with electron acceptor (TCNE) and donor (TTF) molecules. We have performed…
The aim of this work is to simulate the charge transport in a monolayer graphene on different substrates. This requires the inclusion of the scatterings of the charge carriers with the impurities and the phonons of the substrate, besides…
We propose the design of low strained and energetically favourable mono and bilayer graphene overlayer on anatase TiO$_2$ (001) surface and examined the electronic structure of the interface with the aid of first principle calculations. In…
Electron paramagnetic resonance (EPR) study of air-physisorbed defective carbon nano-onions evidences in favor of microwave assisted formation of weakly-bound paramagnetic complexes comprising negatively-charged O2- ions and edge carbon…
The power of polymorphism in carbon is vividly manifested by the numerous applications of carbon-based nano-materials. Ranging from environmental issues to biomedical applications, it has the potential to address many of today's dire…
We theoretically study the thermoelectric transport S in a double-layer bilayer graphene (BLG-GaAs-BLG) system on dielectric substrates (h-BN, Al2O3, HfO2). Electrons interact with GaAs acoustic phonons via both the deformation potential…
The fluorination of mono- and bi-layer graphene have been studied by means of ab-initio DFT calculations. The stability of CF$_x$ systems are found to depend on both the F coverage and on the position of the F atoms regarding the C…
The discovery of fullerenes has stimulated extensive exploration of the resulting behavior of adsorbed films. Our study addresses the planar substrates graphene-fluoride (GF) and graphane (GH) in comparison to graphene. We present initial…
We consider a double-layer system made of two parallel bilayer graphene sheets separated by a dielectric medium. We calculate the finite-temperature electrical conductivity of the first layer due to charged impurities located in two layers.…
We investigate the propagation of surface waves along a spatially dispersive graphene sheet, including substrate effects. The proposed analysis derives the admittances of an equivalent circuit of graphene able to handle spatial dispersion,…
We use molecular simulations to explore how sample dimensions and interfacial properties impact some generic aspects of the mechanical and structural behavior of nanoconfined materials. Specifically, we calculate the strain-dependent…
We identify qualitative trends in the stacking sequence dependence of carrier-carrier interaction phenomena in multilayer graphene. Our theory is based on a new approach which explicitly exhibits the important role in interaction phenomena…