Search results for "Valence band"
showing 10 items of 14 documents
Simulations of the effect of the contact energy levels on a simple model of a hot carrier cell
2016
In the present work, the performance of a simplified model of a hot carrier cell is examined at different energy levels of carrier collection. Incident photons, Monte Carlo generated by employing the ASTM G173-03 data set, are accounted for individually as they interact with the cell. It is assumed that the carriers can be collected ultra-fast, thus avoiding considering hot carrier thermalisation effects. Although the model is preliminary and lacking some mechanisms of hot carrier cells, it has been demonstrated that the present approach to modelling hot carrier solar cells can be developed into fully working models. Some effects of the absorption energy levels in the valence band have been…
Optical absorption of divalent metal tungstates: Correlation between the band-gap energy and the cation ionic radius
2008
We have carried out optical-absorption and reflectance measurements at room temperature in single crystals of AWO4 tungstates (A = Ba, Ca, Cd, Cu, Pb, Sr, and Zn). From the experimental results their band-gap energy has been determined to be 5.26 eV (BaWO4), 5.08 eV (SrWO4), 4.94 eV (CaWO4), 4.15 eV (CdWO4), 3.9-4.4 eV (ZnWO4), 3.8-4.2 eV (PbWO4), and 2.3 eV (CuWO4). The results are discussed in terms of the electronic structure of the studied tungstates. It has been found that those compounds where only the s electron states of the A2+ cation hybridize with the O 2p and W 5d states (e.g BaWO4) have larger band-gap energies than those where also p, d, and f states of the A2+ cation contribu…
Quantum-well states in ultrathin Ag(111) films deposited onto H-passivated Si(111)-(1x1) surfaces
2002
Ag(111) films were deposited at room temperature onto H-passivated Si(111)-(1x1) substrates, and subsequently annealed at 300 C. An abrupt non-reactive Ag/Si interface is formed, and very uniform non-strained Ag(111) films of 6-12 monolayers have been grown. Angle resolved photoemission spectroscopy has been used to study the valence band electronic properties of these films. Well-defined Ag sp quantum-well states (QWS) have been observed at discrete energies between 0.5-2eV below the Fermi level, and their dispersions have been measured along the GammaK, GammaMM'and GammaL symmetry directions. QWS show a parabolic bidimensional dispersion, with in-plane effective mass of 0.38-0.50mo, along…
Photoelectron spectrum of poly(methyl-n-propylsilane): a valence band theoretical interpretation
1996
Abstract The results of a theoretical investigation of the photoelectron spectrum of poly(methyl-n-propylsilane) are reported. The simulation of the UPS spectrum has been obtained from band structure calculations performed using the valence effective Hamiltonian method (VEH). The theoretical spectrum is fully consistent with the experimental UPS spectrum, and an excellent quantitative agreement is observed when the energies of the main peaks of both spectra are compared. A complete analysis of the contributions to the main peaks, together with a detailed interpretation of all the photoemission bands observed in the experimental spectrum have also been performed.
Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111)
2011
Abstract: A computational method is presented for angle-resolved photoemission spectra (ARPES) and photoelectron diffraction (PED) in the ultraviolet regime. The one-step model is employed and both initial valence and final continuum states are calculated using the finite-cluster, real-space multiple scattering method. Thereby the approach is versatile and provides a natural link to core-level PED. The method is applied to the Cu(111) valence band and good agreement with experiment is found for both ARPES spectra and PED patterns. When the PED patterns are integrated over a filled band of a single-orbital symmetry, such as Cu-3d, we show, both numerically and analytically, that the exact th…
Resonant Photoelectron Diffraction
2013
A layout of a resonant photoelectron diffraction, RESPED, experiment is described from the theoretical basis to the data acquisition and analysis procedures. The theory of the resonance between the directly emitted photoelectron of a selected valence band and the electron emitted by autoionization (Auger) of the same valence band is presented within a formal frame. The critical issue of the angular symmetry and distribution of the resonating electron is discussed in connection with the current computational protocols for photoelectron diffraction, PED, analysis. A few representative applications are presented, where RESPED is shown to overcome some limitations of conventional PED thanks to …
INFLUENCE OF THE CHEMICAL POTENTIAL ON THE CARRIER EFFECTIVE MASS IN THE THERMOELECTRIC SOLID SOLUTION Cu2Zn1-xFexGeSe4
2013
In this paper, we describe the synthesis and characterization of the solid solution Cu 2 Zn 1-x Fe x GeSe 4. Electronic transport data have been analyzed using a single parabolic band model and have been compared to Cu 2+x Zn 1-x GeSe 4. The effective mass of these undoped, intrinsically hole conducting materials increases linearly with increasing carrier concentration, showing a non-parabolic transport behavior within the valence band.
Photoactivity under visible light of metal loaded TiO2 catalysts prepared by low frequency ultrasound treatment
2017
Abstract Visible-light responsive bare and metal loaded (Pt, Ag, Rh, Pd) TiO 2 photocatalysts were prepared by using a simple ultrasound treatment. This method induced bulk oxygen deficiency resulting in a narrowing bandgap (from 3.18 to 3.04 eV) and in visible light absorption. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), BET specific surface area (SSA) and pore size distribution (PSD), UV–vis diffuse reflectance spectroscopy (DRS), Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). The photocatalytic activity of the samples was evaluated by using the 4-nitrophenol oxidation reaction and the photocatalytic oxidation of glucose w…
Influence of hole transport material ionization energy on the performance of perovskite solar cells
2019
Halide perovskites have shown excellent photophysical properties for solar cell applications which led to a rapid increase of the device efficiency. Understanding the charge carrier dynamics within the active perovskite absorber and at its interfaces will be key to further progress in their development. Here we present a series of fully evaporated devices employing hole transport materials with different ionization energies. The open circuit voltage of the devices, along with their ideality factors, confirm that the former is mainly determined by the bulk and surface recombination in the perovskite, rather than by the energetic offset between the valence band of the perovskite and the highe…
Crossluminescence in some fluoride and chloride crystals with intrinsic and extrinsic defects
1991
Abstract The term “crossluminescence” (CRL) was originaly proposed for emission due to electronic transitions from valence band states to cation core band states. Analogous transitions involving cation core states are observed at defect centers.