Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Thermal-transport properties of various graphene junctions and quantum dots with nanoscale width are systematically investigated by nonequilibrium Green's-function method. Thermal conductance is insensitive to the detailed structure of the contact region but substantially limited by the narrowest part of the systems.…
Multiple, coexisting hydrophobic compartments have been created in water using molecular self-sorting among mixtures of bolaamphiphiles with differently spaced urea groups in their hydrophobic parts. The selective incorporation of bisurea functionalized fluorescent probes showed that different bolaamphiphiles form sep…
Monolithic titania (TiO 2 ) with multiscale porous structures have been successfully prepared via the sol–gel route accompanied by phase separation utilizing a chelating agent and mineral salt. The TiO 2 gels obtained possess well‐defined macropores derived from spinodal decomposition and mesopores as interstices of a…
Topas is a powerful and flexible software suite for the analysis of powder diffraction (and other) data. In this paper we describe methods to interact with the software in efficient and customisable ways. We also provide brief details of a wiki site for sharing ideas and methods for this software (topas.dur.ac.uk). Fi…
Poly(D,L-lactide) synthesis using tin(II) 2-ethylhexanoate initiated ring-opening polymerization (ROP) takes over 30 hours in bulk at 120 °C. The use of microwave makes the same bulk polymerization process with the same initiator much faster and energy saving, with a reaction time of about 30 minutes at 100 °C. Here,…
Poly(amidoamine) (PAMAM) dendrimer nanobiotechnology shows great promise in targeted drug delivery and gene therapy. Because of the involvement of cell membrane lipids with the pharmacological activity of dendrimer nanomedicines, the interactions between dendrimers and lipids are of particular relevance to the pharmac…
The quantum dot (QD) concentration dependence of the optical properties of QD monolayers is shown to be dominated by F\"orster resonant energy transfer (FRET) from smaller to larger QDs in the ensemble. With increasing QD concentration a redshift of the peak emission wavelength, a shortening of the photoluminescence l…
A lanthanide-complex-based ratiometric luminescence probe specific for peroxynitrite (ONOO(-)), 4'-(2,4-dimethoxyphenyl)-2,2':6',2''-terpyridine-6,6''-diyl]bis(methylenenitrilo)tetrakis(acetate)-Eu(3+)/Tb(3+) ([Eu(3+)/Tb(3+)(DTTA)]), has been designed and synthesized. Both [Eu(3+)(DTTA)] and [Tb(3+)(DTTA)] are highly…
In this work, the adsorption behaviors and oxidation mechanisms of ethanol on palladium surfaces, including the closed-packed Pd(111), the stepped Pd(110), and the open Pd(100), are investigated using density functional theory (DFT). By exploring the electronic properties of different single palladium surfaces, the ad…
Chitosan is a natural polymer derived from chitin, a structural component of fungi, insects and shrimp, which exerts antimicrobial effects against bacteria and fungi. The aim of this study was to investigate the in vitro antifungal activity of low molecular weight chitosan (LMWC), and the potential synergy between chi…
We consider here the non-adiabatic energy transfer dynamics for a model bi-chromophore system consisting of a perylenediimide unit linked to a ladder-type poly-(para-phenylene) oligomer. Starting from a semi-empirical parameterization of a model electron/phonon Hamiltonian, we compute the golden-rule rate for energy t…
Anode-supported solid oxide fuel cells (SOFCs) based on thin BaZr0.8Y0.2O3 − δ (BZY) electrolyte films were fabricated by pulsed laser deposition (PLD) on sintered NiO–BZY composite anodes. After in situ reduction of NiO to Ni, the anode substrates became porous, while retaining good adhesion with the electrolyte. A s…
Abstract This article presents novel solvent cast biocomposites of poly(lactic acid) (PLA), polyhydroxybutyrate‐ co ‐valerate (PHBV), and polycaprolactone (PCL) with enhanced barrier properties to UV light, oxygen, water, and limonene by means of incorporating an organomodified mica‐based clay grade. The TEM results s…
High purity TeO2 crystals are produced to be used for the search for the neutrinoless double beta decay of 130Te. Dedicated production lines for raw material synthesis, crystal growth and surface processing were built compliant with radio-purity constraints specific to rare event physics experiments. High sensitivity…
Transport properties of exciton-polaritons in anisotropic quantum microcavities are considered theoretically. Microscopic symmetry of the structure is taken into account by allowing for both the longitudinal-transverse (TE-TM) and anisotropic splitting of polariton states. The splitting is equivalent to an effective m…
High-quality copper selenide nanodiscs with a 2.6 nm thickness were prepared using imidazoline-2-selenone as a new selenium precursor. The phase of prepared nanomaterials was characterized to be cubic Cu2−XSe by HR-TEM, XRPD, EDX, and XPS. Promising optoelectric properties were observed by solar simulators after fabri…
The recent tremendous increase in the volume of waste plastics (WP) will have a harmful environmental impact on the health of living beings. Hundreds of years are required to degrade WP in atmospheric conditions. Hence, in coming years, in addition to traditional recycling services, innovative "upcycling" processes ar…
We extend the recently developed converse NMR approach [T. Thonhauser, D. Ceresoli, A. Mostofi, N. Marzari, R. Resta, and D. Vanderbilt, J. Chem. Phys. \textbf{131}, 101101 (2009)] such that it can be used in conjunction with norm-conserving, non-local pseudopotentials. This extension permits the efficient ab-initio c…
The magnetic and electronic structures of $3d$ impurity atoms from Sc to Zn in ferromagnetic body-centered-cubic iron are investigated using the all-electron full-potential linearized augmented plane-wave method based on the generalized gradient approximation (GGA). We found that, in general, the GGA results are close…
A new minimal model is constructed for the doped manganese oxides which exhibit colossal magnetoresistance (CMR), involving broad spin-majority conduction band as well as nearly localised spin-minority electron states. A simple mean field analysis yields a temperature-dependent hybridised band structure with suppresse…