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As a first step to meet the challenge to calculate the electronic structure and total energy of charged states of atoms and molecules adsorbed on ultrathin-insulating films supported by a metallic substrate using density functional theory…
We report high-pressure photoluminescence, Raman scattering, and x-ray diffraction measurements on a lead-free halide perovskite $Cs_3Sb_2Br_9$. At about 3 GPa, an electronic transition manifests itself through a broad minimum in linewidth,…
Halide perovskites excel in the pursuit of highly efficient thin film photovoltaics, with power conversion efficiencies reaching 25.5% in single junction and 29.5% in tandem halide perovskite/silicon solar cell configurations. Operational…
The spectacular performance of halide perovskites in optoelectronic devices is rooted in their tolerance to defects. Previous studies showed that defects in these materials generate shallow electronic states. However, how these shallow…
A modified model of metal-semiconductor contacts is applied to analyze the capacitance-voltage and current-voltage characteristics of metal-ferroelectric-metal structures. The ferroelectric polarization is considered as a sheet of surface…
The spectral density of localized states in the band gap of pentacene (trap DOS) was determined with a pentacene-based thin-film transistor from measurements of the temperature dependence and gate-voltage dependence of the contact-corrected…
We present a computational scheme for extracting the energy level alignment of a metal/molecule interface, based on constrained density functional theory and local exchange and correlation functionals. The method, applied here to benzene on…
Wideband channel frequency response (CFR) estimation is challenging in multi-band wireless systems, especially when one or more sub-bands are temporarily blocked by co-channel interference. We present a physics-informed complex Transformer…
Despite showing great promise for optoelectronics, the commercialization of halide perovskite nanostructure-based devices is hampered by inefficient electrical excitation and strong exciton binding energies. While transport of excitons in…
The in-memory computing paradigm with emerging memory devices has been recently shown to be a promising way to accelerate deep learning. Resistive processing unit (RPU) has been proposed to enable the vector-vector outer product in a…
Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
Charge trapping is a long-standing problem in electrowetting-on-dielectric (EWOD), causing reliability reduction and restricting its practical applications. Although this phenomenon has been investigated macroscopically, the microscopic…
Perovskites have proven to be a promising candidate for highly-efficient solar cells, light-emitting diodes, and X-ray detectors, overcoming limitations of inorganic semiconductors. However, they are notoriously unstable. The main reason…
In perovskite solar cells, photovoltaic action is created by charge transport layers (CTLs) either side of the light-absorbing metal halide perovskite semiconductor. Hence, the rates for desirable charge extraction and unwanted interfacial…
We describe a novel method to measure the surface charge densities on optical fibers placed in the vicinity of a trapped ion, where the ion itself acts as the probe. Surface charges distort the trapping potential, and when the fibers are…
The coherence and fidelity of quantum dot (QD) spin qubits are fundamentally limited by charge noise arising from electrically active trap states at oxide interfaces, heterostructure boundaries, and within the bulk semiconductor. These…
Transient microscopy is of vital importance in understanding the dynamics of optical excited states in optoelectronic materials, as it allows for a direct visualization of the movement of energy carriers in space and time. Important…
We demonstrate an all solid state semiconductor device, based on epitaxial single crystalline metal halide perovskites, enabling reversible control of a perovskite photoluminescence with a gate voltage. Fundamentally distinct from…
Due to the large surface-to-volume ratio, surface trap states play a dominant role in the optoelectronic properties of nanoscale devices(1-6). Understanding the surface trap states allows us to properly engineer the device surfaces for…