Materials Literature
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We have measured the electrical properties of a V 2 O 3 thin film micro bridge at the insulator-metal transition (IMT). Discontinuous jumps to lower voltages in the current voltage characteristic (IV) followed by an approximately constant voltage progression for high currents indicate an electrical breakdown of the de…
Zinc oxide (ZnO) hierarchical structures (HSs) have recently demonstrated notable photochemical and photovoltaic performances attributed to their nano/micro combined architectures. In this study, ZnO HSs were synthesized at room temperature using ultrarapid sonochemistry. This novel approach can effectively overcome d…
Semiconductor nanocrystal quantum dots (QDs) have been the subject of much interest for fundamental and applied studies. The synthesis of QDs has developed over the past 30 years such that production of monodisperse, photostable QDs with a near-exact size and shape are readily achievable. However, an understanding of…
The main objective of this work is the grafting of polycaprolactone diol (PCL) on the surface of oxidized nanocelluloses (ONC) in order to enhance the compatibility between the hydrophilic cellulose nanofibres and the hydrophobic polymer matrix. This grafting was successfully realized with a new strategy known as clic…
Graphene/metal nanoparticle (NP) composites have attracted great interest for various applications as catalysts, electrodes, sensors, etc., due to their unique structures and extraordinary properties. A facile synthesis of graphene/metal NP composites with good control of size and morphology of metal NPs is critical t…
The properties of neutral defects in SrTiO3 are calculated using the screened hybrid density functional of Heyd, Scuseria, and Ernzerhof. The formation energies, the crystal field splittings affecting the SrTiO3 band structure, and the relaxation geometries around each defect are discussed. Oxygen vacancies introduced…
We report our Raman studies of a new lead-free relaxor ferroelectrics, Ba 0.85 Ca 0.15 Ti 0.9 Zr 0.1 O 3 (BCTZO). The Raman modes of BCTZO are compared with those of BaTi 0.8 Zr 0.2 O 3 (BTZO), and BaTiO 3 (BTO). Also, they are compared with the eigenmodes of BTO calculated by using an abinitio quantum-mechanical froz…
We reply to the comment made by Su et al. on "Optimal working conditions for thermoelectric generators with realistic thermal coupling". In particular we justify the efficiency definition used in the main paper.
A new definition of a dipole glass parameter for ferro-antiferroelectric solid mixtures is suggested. It is constructed on the nearest neighbours pair correlation functions for interacting dipole momenta. The behaviour of the dipole glass parameter is calculated and discussed.
Based on the three parametric Lorenz system, a model was developed that permits to describe the behavior of the plasma-condensate system near phase equilibrium in a self-consistent way. Considering the effect of fluctuations of the growth surface temperature, the evolution equation and the corresponding Fokker-Planck…
We calculate the density of states (DOS) and the Mulliken population of the diamond and the co-doped diamonds with different concentrations of lithium (Li) and phosphorus (P) by the method of the density functional theory, and analyze the bonding situations of the Li-P co-doped diamond thin films and the impacts of th…
First-principles calculations show that spin-up and spin-down carriers accumulate adjacent to the opposite surfaces of a BiFeO 3 (BFO) film upon applying an external bias. The spin carriers are equal in magnitude and opposite in direction, and spin-down carriers move in the direction opposite to the external electric…
The spin-resolved electronic energy band spectra, as well as partial and total density of electronic states of the crystal AlN, doped with Cr, Mn and Fe, have been evaluated within the projector augmented waves (PAW) approach by means of the ABINIT code. The Hartree-Fock exchange for correlated electrons is used to de…
The resonant magnetic reflectivity of Co/Mg multilayers around the Co L 2,3 absorption edge is simulated then measured on a specifically designed sample. The dichroic signal is obtained when making the difference between the two reflectivities measured with the magnetic field applied in two opposite directions paralle…
Ab-initio calculations for the structural properties of Zr-Nb alloys at different values of the niobium concentration are done at zero temperature. Different cases for Zr-Nb alloys with unit cells having BCC and HCP structures are considered. Optimal values of the lattice constants are obtained. Critical value for the…
Density functional calculations are used to investigate the electronic structure of two-dimensional 5 d tantalum carbides with honeycomb-like lattice structures. We focus on changes in the low-energy bands near the Fermi level with dimensionality. We find that the Ta 5 d states dominate, and the extended nature of the…
A carbon nanotube (CNT) tip was fabricated at the apex of an etched tungsten wire by chemical vapor deposition and used for scanning tunneling microscopy. The honeycomb lattice of graphite in the STM images was resolved with a CNT tip at T=79 K. The superior spatial resolution originating from the p orbitals of a CNT…
We report detailed atomistic simulations combined with high-fidelity conductance calculations to probe the structural origins of conductance fluctuations in thermally evolving Au-benzene-1,4-dithiolate-Au junctions. We compare the behavior of structurally ideal junctions (electrodes with flat surfaces) to structurally…
The widespread use of zinc oxide (ZnO) nanoparticles worldwide exposes humans to their adverse effects, so it is important to understand their biological effects and any associated risks. This study was designed to investigate the cytotoxicity, oxidative stress, and apoptosis caused by ZnO nanoparticles in human skin…
Silicon nanocrystals have been widely investigated for several years because of their many interesting properties and their potential use in several applications. This field has grown enormously after the observation of quantum confinement in porous silicon and remains an area of great interest for different reasons.…