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An experimental study of the electronic structure of copper intercalated titanium dichalcogenides in a wide range of copper concentrations (x = 0.05 - 0.6) using the x-rays photoemission spectroscopy, resonant photoemission and x-rays…
Charge-state transitions of a single Cu-phthalocyanine molecule adsorbed on an insulating layer of NaCl on Cu(111) are probed by means of alternate charging scanning tunneling microscopy. Real-space imaging of the electronic transitions…
Layered quasi two dimensional systems have garnered huge interest both in the advancement of technology and in understanding emergent physics such as unconventional superconductivity, topological phases. In particular, the study of…
We demonstrate the capability of block-copolymer templating to tune the refractive indices of functional oxides over a broad range by structuring materials on the 20-1000 atoms scale, with simple one-pot synthesis. The presented method is…
By means of ab initio molecular dynamics and band structure calculations, as well as using calculated STM images, we have singled out one structural model for the (3x2) reconstruction of the Si-terminated (001) surface of cubic SiC, amongst…
We developed the focused ion beam (FIB) and ion milling techniques for a fabrication of the Bi_2Sr_2CaCu_2O_{8+\delta} (Bi-2212) stacked junctions with in-plane size L_{ab} from several microns down to the submicron scale without…
Van der Waals heterostructures form a massive interdisciplinary research field, fueled by the rich material science opportunities presented by layer assembly of artificial solids with controlled composition, order and relative rotation of…
This paper reports the first study carried out by surface-enhanced Raman spectroscopy (SERS) during the galvanostatic electrodeposition (ECD) of copper from an acidic sulphate solution, in the presence of polyethylene glycol (PEG),…
We present a structural analysis of the graphene/Ru(0001) system obtained by surface x-ray diffraction. The data were fit using Fourier-series expanded displacement fields from an ideal bulk structure, plus the application of symmetry…
Interlayer rotation and stacking were recently demonstrated as effective strategies for tuning physical properties of various two-dimensional materials. The latter strategy was mostly realized in hetero-structures with continuously varied…
We have performed an \it {ab initio} investigation of transition metals (TMs = Mo, Ru, Co, and Pt) embedded in twisted bilayer graphene (tBG) layers. Our total energy results reveal that, triggered by the misalignment between the graphene…
We investigated the possibility of augmenting the fluence of electrons traversing CdTe thin film and thus increasing the detected signal pursuing two venues: adding a high-Z metal layer to the back of the detector surface, and adding a top…
We consider the stability of precipitates formed at grain boundaries (GBs) by radiation-induced segregation in dilute alloys subjected to irradiation. The effects of grain size and misorientation of symmetric-tilt GBs are quantified using…
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging…
The vibrational properties of carbon monoxide adsorbed to the copper (100) surface are explored within density functional theory. Atoms of the substrate and adsorbate are treated on an equal footing in order to examine the effect of…
We predict topological electron crystals driven by the interplay of interlayer Coulomb attraction and topological miniband physics in bilayer graphene--Mott insulator heterostructures. Charge transfer creates a charge neutral, mass…
Copper halides Cs3Cu2X5 (X=Cl, Br, I) are promising materials for optoelectronic applications due to their high photoluminescence efficiency, stability, and large Stokes shifts. In this work, we uncover the chemical bonding origin of the…
The bilayer Hubbard model with electron-hole doping is an ideal platform to study excitonic orders due to suppressed recombination via spatial separation of electrons and holes. However, suffering from the sign problem, previous quantum…
We present here a comprehensive search for the structure of the Si(553)-Au reconstruction. More than two hundred different trial structures have been studied using first-principles density-functional calculations with the SIESTA code. An…
This Review highlights the exciting advancements in the science of honeycomb layered frameworks with metallophilic bilayers that have recently garnered attention particularly due to reports of anomalous fractional valency states of silver…