Related papers: Hierarchy in the halogen activation during surface…
Few-layered potassium nickel and cobalt oxides show drastic differences in catalytic activity based on metal ion preorganization. Uniform compositions $[(\mathrm{CoO}_2/\mathrm{K})_6$ or $(\mathrm{NiO}_2/\mathrm{K})_6]$ show limited…
Self-assembled hierarchical solid surfaces are very interesting for wetting phenomena, as observed in a variety of natural and artificial surfaces. Here, we report single-walled (SWCNT) and multi-walled carbon nanotube (MWCNT) thin films…
Motivated by the recent finding of superconductivity in layered CoO_2 compounds, we investigate superconducting and magnetic instabilities of interacting electrons on the two-dimensional triangular lattice. Using a one-loop renormalization…
The synthesis of Ni filled multiwalled carbon nanotubes was performed by atmospheric pressure chemical vapor deposition with propane on Si at 850 C using a simple mixture of Ni(salen), and a conventional photoresist. Analysis of the carbon…
We study a model of a thermoelectric nanojunction driven by vibrationally-assisted tunneling. We apply the reaction coordinate formalism to derive a master equation governing its thermoelectric performance beyond the weak…
Hydrogen bond is often assumed to be a purely electrostatic interaction between a electron-deficient hydrogen atom and a region of high electron density. Here, for the first time, we directly image hydrogen bond in real space by…
It is a general challenge to design highly active or selective earth-abundant metals for catalytic hydrogenation. Here, we demonstrated an effective computational approach based on inverse molecular design theory to deterministically search…
The ultrastrong coupling of single-electron tunneling and nanomechanical motion opens exciting opportunities to explore fundamental questions and develop new platforms for quantum technologies. We have measured and modeled this…
We used quantum chemical ab initio methods to determine the effective parameters of Hubbard and $t-J$ models for the $\rm Na_{x}CoO_2$ compounds (x=0 and 0.5). As for the superconducting compound we found the $a_{1g}$ cobalt orbitals above…
Using electrospray ion beam deposition, we collide the complex molecule Reichardt's Dye (C41H30NO+) at low, hyperthermal translational energy (2-50 eV) with a Cu(100) surface and image the outcome at single-molecule level by scanning…
Calculations based on density functional theory and statistical mechanics reveal how Fe site preference in olivine is altered at interfaces. Although the M1 site is favoured in bulk olivine, surface metal sites provide greater stabilisation…
The large majority of topological phases in one dimensional many-body systems are known to inherit from the corresponding single-particle Hamiltonian. In this work, we go beyond this assumption and find a new example of topological order…
We study the hypernuclei of C and B isotopes by Hartree-Fock model with Skyrme-type nucleon-nucleon and nucleon-hyperon interactions. The calculated $\Lambda$ binding energies agree well with the available experiment data. We found halo…
We report the synthesis of halogenated carbon atomic wires (halopolyynes) via pulsed laser ablation in liquid and their comprehensive Raman characterization. Using dichloromethane and dibromomethane-containing solutions, we produced…
Sharp metal corners and tips support plasmons localized on the scale of the curvature radius -- superlocalized plasmons. We analyze plasmonic properties of nanoparticles with small and sharp corner- and tip-shaped surface perturbations in…
Atomic layers deposited on semiconductor substrates introduce a platform for the realization of the extended electronic Hubbard model, where the consideration of electronic repulsion beyond the onsite term is paramount. Recently, the onset…
We present full (3+1)D dynamical simulations to study collective behavior in ultra-peripheral nucleus-nucleus collisions (UPC) at the Large Hadron Collider (LHC) with the 3DGlauber+MUSIC+UrQMD framework. By extrapolating from asymmetric…
We construct a simple holographic model incorporating higher-order coupling terms for electron self-interactions. It can exhibit typical behavior of a Mott insulator, including a metal-insulator transition and a decrease in DC conductivity…
We simulate the localized surface plasmon resonances of an Au nanoparticle within tunneling proximity of a Au substrate and demonstrate that the modes may be identified with those responsible for light emission from a scanning tunneling…
Ice formation is one of the most common and important processes on earth and almost always occurs at the surface of a material. A basic understanding of how the physicochemical properties of a material's surface affect its ability to form…