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Two-dimensional Dirac semimetals have attracted much attention because of their linear energy dispersion and non-trivial Berry phase. Graphene-like 2D Dirac materials are gapless only within certain approximations, e.g., if spin-orbit…
Due to the flexibility of C and N atoms in forming different types of bonds, the prediction of new two-dimensional (2D) carbon nitrides is a hot topic in the field of carbon-based materials. Using first-principles calculations, we propose…
Motivated by experimentally observed biocompatibility enhancement of nanoengineered cubic zirconia ZrO2 coatings to mesenchymal stromal cells, we have carried out computational analysis of the initial immobilization of one of known…
The nanostructure of hydrogenated amorphous silicon (a Si:H) is studied by a combination of small-angle X-ray (SAXS) and neutron scattering (SANS) with a spatial resolution of 0.8 nm. The a-Si:H materials were deposited using a range of…
The adsorption of single atoms on pristine and defected hexagonal boron nitride (h-BN) was systematically investigated using density functional theory. Elements from the first three rows of the periodic table, together with selected…
Condensed matter systems in low dimensions exhibit emergent physics that does not exist in three dimensions. When electrons are confined to one dimension (1D), some significant electronic states appear, such as charge density wave,…
We use dynamic nuclear polarization (DNP) enhanced nuclear magnetic resonance (NMR) at liquid helium temperatures to directly detect hydrogen attached to the surface of silicon microparticles. The proton NMR spectrum from a dry sample of…
Ultrathin InAs nanowires (NW) with one-dimensional (1D) sub-band structure are promising materials for advanced quantum-electronic devices, where dimensions in the sub-30 nm diameter limit together with post-CMOS integration scenarios on Si…
Electronic structures of SiC nanoribbons have been studied by spin-polarized density functional calculations. The armchair nanoribbons are nonmagnetic semiconductor, while the zigzag nanoribbons are magnetic metal. The spin polarization in…
Colloidal quantum dots (cQDs) recently emerged as building blocks for semiconductor materials with tuneable properties. Electro-hydrodynamic printing can be used to obtain sub-micrometre patterns of cQDs without elaborate and aggressive…
We demonstrate single-atom trapping in two-dimensional arrays of microtraps with arbitrary geometries. We generate the arrays using a Spatial Light Modulator (SLM), with which we imprint an appropriate phase pattern on an optical dipole…
Based on systematic first-principles density-functional theory (DFT) simulations, we predict that the zigzag GaN nanoribbons (ZGaNNR) can be used both as highly efficient CO detectors as well as spin filters. Our calculations performed both…
The stability, electronic and magnetic properties of Fe atoms adsorbed on the self-assembled Bi-dimer lines nanostructure on the H/Si(001) surface are addressed by spin-density functional calculations. Our results show that Fe adatoms are…
In this work we address the effects on the conductance of graphene nanoribbons (GNRs) at which organic molecules are side-attached on the ribbon ends. For simplicity, only armchair (AGNRs) and zigzag (ZGNRs) nanoribbons are considered and…
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…
The layered ternary sp conductor NaAlSi, possessing the iron-pnictide "111" crystal structure, superconducts at 7 K. Using density functional methods, we show that this compound is an intrinsic (self-doped) low-carrier-density semimetal…
We theoretically study the quantum-coherence-enhanced subradiance in a chiral-coupled atomic chain with nonreciprocal decay channels. The collective radiation in this one-dimensional (1D) nanophotonics system results from the resonant…
We report the electronic structure and optical absorption spectra of monolayer black phosphorus (phosphorene) nanoribbons (PNRs) via first-principles simulations. The band gap of PNRs is strongly enhanced by quantum confinement. However,…
Down-scaling device dimensions to the nanometer range raises significant challenges to traditional device design, due to potential current leakage across nanoscale dimensions and the need to maintain reproducibility while dealing with…
Silicene, a sheet of silicon atoms in a honeycomb lattice, was proposed to be a new Dirac-type electron system similar as graphene. We performed scanning tunneling microscopy and spectroscopy studies on the atomic and electronic properties…