相关论文: Disorder-induced electron and hole trapping in amo…
Low dimensional systems with a vanishing band-gap and a large electron-hole interaction have been proposed to be unstable towards exciton formation. As the exciton binding energy increases in low dimension, conventional wisdom suggests that…
Knowledge of the molecular frontier levels' alignment in the ground state can be used to predict the photocatalytic activity of an interface. The position of the adsorbate's highest occupied molecular orbital (HOMO) levels relative to the…
We use density functional theory (DFT) calculations to investigate structural models consisting of anatase TiO2(101) slabs covered by reduced overlayers formed by (101) crystallographic shear planes (CSPs). Ab initio thermodynamics supports…
Titanium dioxide has been extensively studied in recent decades for its important photocatalytic application in environmental purification. The search for a method to narrow the optical band-gap of TiO2 plays a key role for enhancing its…
The performance of n-type amorphous oxide semiconductor thin-film transistors (TFTs) is largely controlled by the density of states (DoS) near the conduction band mobility edge. Here, the full subgap DoS of amorphous InGaZnO (a-IGZO) TFTs,…
The surface coating of cathodes using insulator films has proven to be a promising method for high-voltage cathode stabilization in Li-ion batteries. However, there is still substantial uncertainty about how these films function,…
Two-dimensional electron gas (2DEG) in interfaces and surfaces based on perovskite SrTiO$_3$ (STO) has exhibited various interesting phenomena and is used to develop oxide electronics. Recently, KTaO$_3$ (KTO) shows great potential and is…
Several amorphous silicon structures were generated using a classical molecular dynamics (MD) protocol of melting and quenching with different quenching rates. An analysis of the calculated electronic properties of these structures revealed…
This paper reports on the structural and optical properties of Co-doped TiO2 thin films grown onto (0001) Al2O3 substrates by non-reactive pulsed laser deposition (PLD) using argon as buffer gas. It is shown that by keeping constant the…
The 2D electrons trapped in vacuum near the atomically thin dielectric (ATD, mono- or $N$-layer film of $h$-BN or transition metal dichalcogenide) are considered. ATD is suspended above the back gate and forms the capacitor which is…
Electron orbits are calculated in solitary two-dimensional axisymmetric electrostatic potential structures, typical of plasma electron holes, in order to establish the conditions for the particles to remain trapped. Analytic calculations of…
We show that it is possible to reach one of the ultimate goals of organic electronics: producing organic field-effect transistors with trap densities as low as in the bulk of single crystals. We studied the spectral density of localized…
A combined approach of first-principles density-functional calculations and the systematic cluster-expansion scheme is presented. The dipole, quadrupole, and Coulomb matrix elements obtained from ab initio calculations are used as an input…
Using density functional theory calculations, we establish that the half-metallicity of bulk Ba2FeReO6 survives down to 1 nm thickness in BaTiO3/Ba2FeReO6/BaTiO3 heterostructures grown along the (001) and (111) directions. The confinement…
The structural interface properties of layered Pt/Ti/SiO2/Si electrodes have been investigated using high-resolution specular and diffuse x-ray reflectivity under grazing angles. Currently this multilayer system represents a technological…
Black TiO2 with/without noble metal has been proposed for visible photocatalyst, still leaving poor catalyst efficiency. Alternatively, phase-mixed TiO2 such as anatase and rutile has been commonly used for visible catalysts with the…
In this paper, I demonstrate a density functional theory plus dynamical mean field theory study on the electronic properties of doped $TiO_2$ rutile as well as another tetragonal phase anatase with oxygen vacancy. The density of states and…
Ta-doped SnO$_2$ films with high conductivity and high optical transparency have been successfully fabricated using rf-sputtering method and their electrical transport properties have been investigated. All films reveal degenerate…
Two-level system (TLS) defects in dielectrics are known to limit the performance of electronic devices. We study TLS using millikelvin microwave loss measurements of three atomic layer deposited (ALD) oxide films--crystalline BeO…
Hybridisation is a powerful strategy towards the next generation of multifunctional materials for environmental and sustainable energy applications. Here, we report a new inorganic nanocarbon hybrid material prepared with atomically…