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We perform molecular dynamics simulations of a typical nanoporous-carbon based supercapacitors. The organic electrolyte consists in 1-ethyl-3-methyl--imidazolium and hexafluorophosphate ions dissolved in acetonitrile. We simulate systems at…
In this work we theoretically study the differential capacitance of an aqueous electrolyte in contact with a planar electrode, using classical Density Functional Theory, and show how this measurable quantity can be used as a probe to better…
Silicon-containing lithium-ion batteries can exhibit capacity gain early in life, which makes forecasting future cell behavior difficult. We have observed these anomalous trends even in conditions where known mechanisms, such as overhang…
Linking electrode microstructure to electrochemical performance is essential for optimizing Li-ion batteries. However, this requires mechanistic 4D observations at ultimate spatio-temporal scales, which remains elusive. Here we demonstrate…
We investigate the process of phase-controlled high-order above-threshold photoemission from sharp metallic nanotips under bichromatic laser fields. Experimental photoelectron spectra resulting from two-color excitation with a moderately…
Preparation of solid solutions represents an effective means to improve the photocatalytic properties of semiconductor-based materials. Nevertheless, the effects of site-occupancy disorder on the mixing stability and electronic properties…
In solid-state electrochemical experiments, the boundary between the sample and the electrolyte plays a crucial role, and the rest of the sample acting as a buffer that maintains a fixed composition. Due to the presence of an…
A combined experimental and theoretical investigation of the electronic structure of the archetypal oxide heterointerface system LaAlO3 on SrTiO3 is presented. High-resolution, hard x-ray photoemission is used to uncover the occupation of…
In this work, the influence of crossed magnetic fields (B=100 Gauss) on the UV-vis and NIR spectra and breakdown voltages of nitrogen and oxygen at a pair of parallel plane copper electrodes with a spacing d=2 cm and diameter R= 2.2 cm are…
Electron-phonon coupling is at the origin of conventional superconductivity, enabling the pairing of electrons into Cooper pairs. The electron-phonon matrix elements depend on the electronic eigenstates and, in the standard linear…
Two dimensional materials and their heterostructures constitute a promising platform to study correlated electronic states as well as many body physics of excitons. Here, we present experiments that unite these hitherto separate efforts and…
Atomic and electronic structures of TiO_2(110) surface with possible adsorptional, substitutional and interstitial Au or Pt elemental impurities at full and one-sixth monolayer concentrations were investigated by density functional theory…
The investigation of the defect chemistry of solid oxides is of central importance for the understanding of redox processes. This can be performed by measuring conductivity as a function of the oxygen partial pressure, which is…
The ionizations per photon, or S/XB, method uses spectroscopic measurements of radiating impurity ions to determine the influx from a solid surface. It is highly useful as a non-perturbing, in-situ measure of the gross erosion flux of…
We evaluate the electronic self-energy Sigma(E) at an Al(111) surface using the GW space-time method. This self-energy automatically includes the image potential V_{im} not present in any local-density approximation for exchange and…
The accurate characterization of electrical double layer properties of nanoparticles is of fundamental importance for optimizing their physicochemical properties for specific biotechnological and biomedical applications. In this article, we…
Time resolved spin-polarized electron photoemission spectra are investigated as a function of excitation pulse energy for the heterostructures with a single strained layer and with a strained-well superlattice. At an average current…
Optoelectronic functionalities of photodection and light harnessing rely on the band-to-band excitation of semiconductors, thus the spectral response of the devices is dictated and limited by their bandgap. A novel approach, free from this…
Silicon photonics has many attractive features but faces a major issue: inefficient and slow photodetection in the telecom range. New metal-semiconductor Schottky photodetectors based on intraband absorption address this problem, but their…
Solid electrolyte interphase (SEI), a thin layer that dynamically forms between active electrode and electrolyte during battery operation, critically governs the performance of rechargeable batteries1-5. An ideal SEI is expected to be…