Browsing by Keywords "Charge transfer"
Now showing items 1-17 of 17
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Anatase TiO2 nanowires functionalized by organic sensitizers for solar cells: a screened Coulomb hybrid density functional study
(American Institute of Physics Inc., 2015)The adsorption of two different organic molecules cyanidin glucoside (C21O11H20) and TA-St-CA on anatase (101) and (001) nanowires has been investigated using the standard and the range separated hybrid density functional ... -
Atomic strings of group IV, III-V, and II-VI elements
(American Institute of Physics, 2004)A systematic first-principles study of atomic strings made by group IV, III-V, and II-VI elements has revealed interesting mechanical, electronic, and transport properties. The double bond structure underlies their unusual ... -
Changes in the resistance to corrosion of thermally passivated titanium aluminide during exposure to sodium chloride solution
(Kluwer Academic Publishers, 2015)In this study the surface of Ti-47Al-2Cr (at. %) was modified by heating and exposure to nitrogen gas flow to form a predominantly oxide layer on the surface. Samples were then immersed in Ringer's solution and 3.5 wt. % ... -
Colloidal nanoplatelet/conducting polymer hybrids: excitonic and material properties
(American Chemical Society, 2016)Here we present the first account of conductive polymer/colloidal nanoplatelet hybrids. For this, we developed DEH-PPV-based polymers with two different anchor groups (sulfide and amine) acting as surfactants for CdSe ... -
Comment on "modeling the electrical conduction in DNA nanowires: Charge transfer and lattice fluctuation theories"
(American Physical Society, 2016)In a recent paper [S. Behnia and S. Fathizadeh, Phys. Rev. E 91, 022719 (2015)10.1103/PhysRevE.91.022719] an analytical approach is proposed for the investigation of the conductivity properties of DNA. The authors use mean ... -
Computational modeling of quantum-confined impact ionization in Si nanocrystals embedded in SiO2
(2007)Injected carriers from the contacts to delocalized bulk states of the oxide matrix via Fowler-Nordheim tunneling can give rise to quantum-confined impact ionization (QCII) of the nanocrystal (NC) valence electrons. This ... -
Electronic structure of the contact between carbon nanotube and metal electrodes
(American Institute of Physics, 2003)Our first-principles study of the contact between a semiconducting single-walled carbon nanotube ~s-SWNT! and metal electrodes shows that the electronic structure and potential depend strongly on the type of metal. The ... -
Fabrication of supramolecular n/p-nanowires via coassembly of oppositely charged peptide-chromophore systems in aqueous media
(American Chemical Society, 2017-07)Fabrication of supramolecular electroactive materials at the nanoscale with well-defined size, shape, composition, and organization in aqueous medium is a current challenge. Herein we report construction of supramolecular ... -
High-efficiency optical gain in type-II semiconductor nanocrystals of alloyed colloidal quantum wells
(American Chemical Society, 2017)Colloidal nanocrystals having controlled size, tailored shape, and tuned composition have been explored for optical gain and lasing. Among these, nanocrystals having Type-II electronic structure have been introduced toward ... -
Lateral and vertical heterostructures of h-GaN/h-AlN: electron confinement, band lineup, and quantum structures
(American Chemical Society, 2017-11)Lateral and vertical heterostructures constructed of two-dimensional (2D) single-layer h-GaN and h-AlN display novel electronic and optical properties and diverse quantum structures to be utilized in 2D device applications. ... -
Mo2C as a high capacity anode material: a first-principles study
(Royal Society of Chemistry, 2016)The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. ... -
Morphological control of mesoporosity and nanoparticles within Co3O4-CuO electrospun nanofibers: quantum confinement and visible light photocatalysis performance
(American Chemical Society, 2017-09)The one-dimensional (1D) mesoporous and interconnected nanoparticles (NPs) enriched composite Co3O4-CuO nanofibers (NFs) in the ratio Co:Cu = 1/4 (Co3O4-CuO NFs) composite have been synthesized by electrospinning and ... -
Nanograined surface shell wall controlled ZnO–ZnS core–shell nanofibers and their shell wall thickness dependent visible photocatalytic properties
(Royal Society of Chemistry, 2017)The core-shell form of ZnO-ZnS based heterostructural nanofibers (NF) has received increased attention for use as a photocatalyst owing to its potential for outstanding performance under visible irradiation. One viable ... -
Physics of nonradiative energy transfer in the complex media of 0D, 2D and 3D materials
(Bilkent University, 2016-07)Quantum-confined colloidal nanostructures with strong excitonic properties have emerged as promising light harvesting components in photonics and optoelectronics over the past 20 years. With their favorable photophysical ... -
Plasmon-coupled photocapacitor neuromodulators
(American Chemical Society, 2020)Efficient transduction of optical energy to bioelectrical stimuli is an important goal for effective communication with biological systems. For that, plasmonics has a significant potential via boosting the light−matter ... -
Selective manipulation of ICT and PET processes in styryl-bodipy derivatives: Applications in molecular logic and fluorescence sensing of metal ions
(2010)Remarkably versatile chemistry of Bodipy dyes allows the design and straightforward synthesis of multivalent-multitopic derivatives, which, with judicious selection of metal ion-ligand pairs based on known affinities, ... -
Tuned range-separated hybrids in density functional theory
(2010)We review density functional theory (DFT) within the Kohn-Sham (KS) and the generalized KS (GKS) frameworks from a theoretical perspective for both time-independent and time-dependent problems. We focus on the use of ...
