Materials Literature
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From both fundamental and technical points of view, precise control of the layer number of graphene samples is very important. To reach this goal, atomic-scale mechanisms of multilayer graphene growth on metal surfaces should be understood. Although it is a geometrically favorable pathway to transport carbon species t…
Recent experiments reported giant magnetoresistance at room temperature in LaOMnAs. Here, a density functional theory calculation is performed to investigate magnetic properties of LaOMnAs. The ground state is found to be the G-type antiferromagnetic order within the ab plane but coupled ferromagnetically between plan…
In the present study, an attempt has been made to understand the effect of different competing mechanisms controlling the overall degree of sensitization (DOS) of deformed austenitic stainless steel at the early stage of sensitization. The Double Loop Electrochemical Potentiokinetic Reactivation (DL-EPR) studies were…
We report the emergence of superconductivity in Ca2InN consisting of a 2-dimensional (2D) array of zigzag indium chains embedded between Ca2N layers. A sudden drop of resistivity and a specific-heat (Cp) jump attributed to the superconducting transition were observed at 0.6 K. The Sommerfeld coefficient γ= 4.24 mJ/mol…
Based on numerical renormalization group calculations, we demonstrate that experimentally realized double quantum dots constitute a minimal thermoelectric generator. In the Kondo regime, one quantum dot acts as an n-type and the other one as a p-type thermoelectric device. Properly connected the double quantum dot pro…
Recently, we have demonstrated that the problems finding a suitable adiabatic approximation in time-dependent one-body reduced density matrix functional theory can be remedied by introducing an additional degree of freedom to describe the system: the phase of the natural orbitals [Phys. Rev. Lett. 105, 013002 (2010),…
The optical energy gap of as-grown MoS2 flakes from chemical vapor deposition can be modulated from 1.86 eV (667 nm) to 1.57 eV (790 nm) by a vapor phase selenization process. This approach, replacing one chalcogen by another in the gas phase, is promising in modulating the optical and electronic properties of other t…
Periodic micro-grooved organogel surfaces can easily realize the anisotropic sliding of water droplets attributing to the formed slippery water/oil/solid interface. Different from the existing anisotropic surfaces, this novel surface provides a versatile candidate for the anisotropic sliding of water droplets and migh…
Nanomaterials capable of achieving tunable cargo release kinetics are of significance in a fundamental sense and various biological or medical applications. We report a competitive coordination system based on a novel tellurium-containing polymer and its ligand-regulated release manners. Tellurium was introduced to wa…
Bleaching treatment of kenaf fiber was performed in alkaline medium containing hydrogen peroxide solution maintained at pH 11 and 80 °C for 60 min. The bleached kenaf fiber was analyzed using Fourier Transform Infrared (FTIR) and X-ray Diffraction (XRD) analysis. The bleached kenaf fiber was then compounded with poly-…
Molybdenum is a refractory metal that is stable in a body-centred cubic structure at all temperatures before melting. Plastic deformation via structural transitions has never been reported for pure molybdenum, while transformation coupled with plasticity is well known for many alloys and ceramics. Here we demonstrate…
We have used amido-amine functionalized carbon nanotubes (CNTs) that form covalent bonds with cross-linked epoxy matrices to elucidate the role of the matrix-filler interphase in the enhancement of mechanical and thermal properties in these nanocomposites. For the base case of nanocomposites of cross-linked epoxy and…
Organic solid-state luminescence switching (SLS) materials with the ability to reversibly switch the luminescence by altering the mode of molecular packing without changing the chemical structures of their component molecules have attracted considerable interest in recent years. In this work, we design and synthesize…
Au30S(S-t-Bu)18 cluster, related closely to the recently isolated "green gold" compound Au30(S-t-Bu)18, has been structurally solved via single-crystal XRD and analyzed by density functional theory calculations. The molecular protecting layer shows a combination of monomeric (RS-Au-SR) and trimeric (RS-Au-SR-Au-SR-Au-…
The subject of thermal transport at the mesoscopic scale and in low-dimensional systems is interesting for both fundamental research and practical applications. As the first example of truly two-dimensional materials, graphene has exceptionally high thermal conductivity, and thus provides an ideal platform for the res…
High energy and high power electrochemical energy storage devices rely on different fundamental working principles--bulk vs. surface ion diffusion and electron conduction. Meeting both characteristics within a single or a pair of materials has been under intense investigations yet, severely hindered by intrinsic mater…
Bi 2 FeMnO 6 /SrTiO 3 (BFMO/STO) bilayered thin films were grown on LaNiO 3 (LNO) buffered Si(100) substrate by chemical solution deposition. The structure and surface morphology of the bilayered thin films have been characterized by X‐ray diffraction and atomic force microscopy. The Au/BFMO/STO/LNO thin‐film capacito…
ABSTRACT A series of composite fibers based on poly(ether ether ketone)s (PEEK) and a thermotropic liquid crystalline poly(ether ketone)arylates (PEKAR) have been prepared by melt spinning. The structure, compatibility, and properties of these composite fibers were investigated in detail by rheological measurements, d…
Effect of an electric field along [100] direction on diffuse phase transitions in a relaxor ferroelectric 0.955Pb(Zn 1/3 Nb 2/3 )O 3 -0.045PbTiO 3 (PZN-0.045PT) crystal is studied through dielectric properties and a longitudinal acoustic (LA) phonon. Compared with the diffuse phase transition observed in zero-field co…
The energetic, electronic and structural properties of defective g- C 3 N 4 -zz3 nanotubes are considered based on spin-polarized density-functional theory calculations. Nine basic system types with vacancy defects are characterized by their stabilization energies and band gaps. It is found that the nitrogen atom deno…