相关论文: A First-Principles Study of Thiol Ligated CdSe Nan…
We embark on a quest to identify small molecules in the chemical space that can potentially violate Hund's rule. Utilizing twelve TDDFT approximations and the ADC(2) many-body method, we report the energies of S$_1$ and T$_1$ excited states…
Nanoscale dielectric resonators and quantum-confined semiconductors have enabled unprecedented control over light absorption and excited charges, respectively. In this work, we embed luminescent silicon nanocrystals (Si-NCs) into a 2D array…
The magnetic and optical properties of titanium dichalcogenide compounds, TiX$_2$ (X = S, Se and Te) have been calculated by first principles calculations using density functional theory (DFT) as implemented in SIESTA code. A 3x3 supercell…
A few years ago, by means of first-principles calculations, Enyashin et al.(2011) proposed several novel monolayers of carbon containing rings other than hexagons. One of those monolayers containing tetragons and octagons was investigated…
The electronic and optical properties of CdGa2Te4 and ZnGa2Te4 were studied using first-principles DFT calculations. Band gaps were calculated using the GGA-PBESol functional. Both materials show promise for photovoltaic applications…
The investigation of the possibility of optical refrigeration (OR) on zinc-blende cadmium selenide/cadmium sulfide (CdSe/CdS) core/shell structure quantum dots (QDs) has been carried out. Quality samples were synthesized in our lab, and…
Optical and thermal effects in asymmetric supercapacitors, whose active-carbon (AC) electrodes were embedded with nano-Si (n-Si) quantum dots (QD), are reported. We describe two structures: (1) p-n like, obtained by using a polyethylimine…
We explore the phase coherence of thin films of the topological insulator material Bi2Se2Te grown through pulsed laser deposition (PLD) technique. The films were characterised using various techniques for phase and composition. The films…
In this paper we study CdS/CdTe solar cells by means of AMPS-1D software. First we study the effect of thickness of semiconductor layers on the output parameters of the CdS/CdTe solar cell, such as density of short-circuit current, open…
In this work we investigate the electronic properties of mercaptocarboxylic acids with several carbon chain lengths adsorbed on ZnO-(10-10) surfaces via density functional theory calculations using semi-local and hybrid exchange-correlation…
Individual relaxation dynamics of electrons and holes in optically pumped semiconductors is rarely observed due to their overlap. Here we report the individual dynamics of long-lived (~200 mks) holes observed at room temperature in a 10 nm…
The results are presented of a detailed combined experimental and theoretical investigation of the influence of coadsorbed electron-donating alkali atoms and the prototypical electron acceptor molecule TCNQ…
We present a detailed investigation into the optical characteristics of individual InAs quantum dots (QDs) grown by metalorganic chemical vapor deposition, with low temperature emission in the telecoms window around 1300 nm. Using…
Heterostructured quantum dots (QDs) based on narrow-gap PbSe and wide-gap CdSe have been studied with an eye on their prospective applications in near-infrared (NIR) light sources, photodetectors, and solar cells. The most common structural…
We have demonstrated the fabrication of highly continuous and smooth CdSe semiconductor films containing self-assembled nanocrystals (NCs) using a simple, low cost solution-processed deposition technique. The impact of thermal annealing and…
Two-dimensional layered materials, such as transition metal dichalcogenides (TMDCs), are promising materials for future electronics owing to their unique electronic properties. With the presence of a band gap, atomically thin gate defined…
Charge multiplication (CM) in p$^+$n epitaxial silicon pad diodes of 75, 100 and 150 $\upmu$m thickness at high voltages after proton irradiation with 1 MeV neutron equivalent fluences in the order of $10^{16}$ cm$^{-2}$ was studied as an…
The outstanding demonstration of quantum confinement in Si nanocrystals (Si NC) in a SiC matrix requires the fabrication of Si NC with a narrow size distribution. It is understood without controversy that this fabrication is a difficult…
The structural, electronic and optical properties of Si nanocrystals of different size and shape, passivated with hydrogens, OH groups, or embedded in a SiO2 matrix are studied. The comparison between the embedded and free, suspended…
High-resolution photoemission has been used to study the electronic structure of the charge density wave (CDW) and superconducting (SC) dichalcogenide, 2H- NbSe2. From the extracted self-energies, important components of the quasiparticle…