相关论文: Electrostatic potential measurement at the Pt/TiO$…
The discovery of a two-dimensional electron system (2DES) at the interfaces of perovskite oxides such as LaAlO3 and SrTiO3 has motivated enormous efforts in engineering interfacial functionalities with this type of oxide heterostructures.…
Sodium-titanate \ce{Na2Ti3O7} (NTO) is regarded as a highly promising anode material with a very low voltage for Na-ion batteries and capacitors, but suffered from relatively low specific capacity and poor electron conductivity. Here we…
We present a state-of-the-art first-principles analysis of electronic transport in a Pt nanocontact in the presence of H2 which has been recently reported by Smit et al. in Nature 419, 906 (2002). Our results indicate that at the last…
Interface states at a boundary between regions with different spin-orbit interactions (SOIs) in two-dimensional (2D) electron systems are investigated within the one-band effective mass method with generalized boundary conditions for…
This work explores the unique character of strongly correlated systems, specifically Mott-insulators, in the context of battery electrode materials. The study investigates the correlation between the proposed chemical potential evolution…
Understanding the nature of charge carriers at the LaAlO3/SrTiO3 interface is one of the major open issues in the full comprehension of the charge confinement phenomenon in oxide heterostructures. Here, we investigate thermopower to study…
We show how the phase profile of a distribution of topological charges (TC) of an optical vortex (OV) can be described by a potential analogous to the Coulomb's potential for a distribution of electric charges in two-dimensional…
Recent advances in experimental and computational techniques have allowed for an accurate description of the adsorption of ionic liquids on metallic electrodes. It is now well established that they adopt a multi-layered structure, and that…
The electrostatic behavior of a prototypical three-dimensional topological insulator Bi$_2$Se$_3$(111) is investigated by a scanning tunneling microscopy (STM) study of the distribution of Rb atoms adsorbed on the surface. The positively…
A two-dimensional electron gas (2DEG) forms at the interface of complex oxides like $SrTiO_{3}$ (STO) and $LaTiO_{3}$ (LTO), despite each material having a low native conductivity, as a band and a Mott insulator, respectively. The interface…
We present a unified ab-initio study of electronic and optical properties of TiO2 rutile and anatase phases, with a combination of Density Functional Theory and Many Body Perturbation Theory techniques. The consistent treatment of…
We review recent theoretical and experimental progress on the role of two-photon exchange (TPE) in electron-proton scattering at low to moderate momentum transfers. We make a detailed comparison and analysis of the results of competing…
Battery electrode surfaces are generally coated with electronically insulating solid films of thickness 1-50 nm. Both electrons and Li+ can move at the electrode-surface film interface in response to the voltage, which adds complexity to…
The interfaces between metal electrodes and liquid electrolytes are prototypical in electrochemistry. That is why it is crucial to have a molecular and dynamical understating of such interfaces for both electrical properties and chemical…
At interfaces between conventional materials, band bending and alignment are classically controlled by differences in electrochemical potential. Applying this concept to oxides in which interfaces can be polar and cations may adopt a mixed…
Electronic polarization is evaluated in pentacene crystals and in thin films on a metallic substrate using a self-consistent method for computing charge redistribution in non-overlapping molecules. The optical dielectric constant and its…
Elastic scattering is a very important process to understand nuclear interactions in finite nuclei. Despite decades of efforts, the goal of reaching a coherent description of this physical process in terms of microscopic forces is still far…
The two-dimensional metal forming at the interface between an oxide insulator and SrTiO3 provides new opportunities for oxide electronics. However, the quantum Hall effect, one of the most fascinating effects of electrons confined in two…
The problem of two electrons in a two-dimensional random potential is addressed numerically. Specifically, the role of the Coulomb interaction between electrons on localization is investigated by writing the Hamiltonian on a localized basis…
Understanding native point defects is fundamental in order to comprehend the properties of TiO$_2$ anatase in technological applications. Several first-principles studies have been performed in order to investigate the defect chemistry of…