Materials Literature
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The electronic structures of fcc Ce are calculated for large supercells with varying disorder by use of density-functional theory. Thermal disorder induces fluctuations of the amplitude of the magnetic moments and an increase the average moments in the high-volume phase. The ferro-magnetic solutions move towards lower…
Dust grains in cold circumstellar regions and dark-cloud interiors at 10-20 K are covered by ice mantles. A nonthermal desorption mechanism is invoked to explain the presence of gas-phase molecules in these environments, such as the photodesorption induced by irradiation of ice due to secondary ultraviolet photons. To…
This paper reports the first measurements of solid-phase vacuum-ultraviolet (VUV) absorption cross-sections of heavy isotopologues present in icy dust grain mantles of dense interstellar clouds and cold circumstellar environments. Pure ices composed of D2O, CD3OD, 13CO2, and 15N15N were deposited at 8 K, a value simil…
We investigate the inhibited spontaneous emission of telecom-band InAs quantum disks (Qdisks) in InP nanowires (NWs). We have evaluated how the inhibition is affected by different disk diameter and thickness. We also compared the inhibition in standing InP NWs and those NWs laying on silica (SiO2), and silicon (Si) su…
We report systematic first principles density functional study on the electronic structure, elastic and optical properties of nitrogen based solid hydrogen storage materials LiNH$_2$, NaNH$_2$, KNH$_2$, and RbNH$_2$. The ground state structural properties are calculated by using standard density functional theory and…
Electrons in graphene with heavy adatoms (such as In or Tl) have been predicted to form a 2D topological insulator phase with a substantial spectral gap potentially suitable for future practical applications. In order to facilitate the ongoing experimental efforts to identify this phase we perform a theoretical study…
A living system has a complex and accurate regulation system with intelligent sensor-processor-effector components to enable the release of vital bioactive substances on demand at a specific site and time. Stimuli-responsive polymers mimic biological systems in a crude way where an external stimulus results in a chang…
Layered materials must be exfoliated and dispersed in solvents for diverse applications. Usually, highly energetic probe sonication may be considered to be an unfavourable method for the less defective exfoliation and dispersion of layered materials. Here we show that judicious use of ultrasonic cavitation can produce…
The nature of fractional quantum Hall (FQH) states is determined by the interplay between the Coulomb interaction and the symmetries of the system. The distinct combination of spin, valley, and orbital degeneracies in bilayer graphene is predicted to produce an unusual and tunable sequence of FQH states. Here, we pres…
In this work, we investigated the growth mechanisms of bilayer graphene on the outside surface of Cu enclosures at low pressures. We observed that the asymmetric growth environment of a Cu enclosure can yield a much higher (up to 100%) bilayer coverage on the outside surface as compared to the bilayer growth on a flat…
A self-organized, phototunable 3D photonic superstructure is fabricated from a photoresponsive 1D liquid crystal using microfluidics. The resulting microshells are water–oil–water double emulsions, in which the oil phase consists of the photoresponsive liquid crystals. The cholesteric microshells exhibit band-edge las…
To investigate how the physicochemical properties of nanoparticles (NPs) affect their biological and toxicological effects, we evaluated the phytotoxicity of CeO2 and La2O3 NPs to cucumber (Cucumis sativus) plants and tried to clarify the relation between physicochemical properties of NPs and their behaviors. CeO2 NPs…
We review our developed visualization method of charge transfer (CT) for chemical enhancement mechanism on surface‐enhanced Raman scattering (SERS) and tip‐enhanced Raman spectroscopy (TERS). Firstly, we describe our visualization method of charge difference density, which provides direct visual evidence for photoindu…
A new series of superalkali-based alkalides, i.e., Li3(+)(calix[4]pyrrole)M(-), Li3O(+)(calix[4]pyrrole)M(-), and M3O(+)(calix[4]pyrrole)K(-) (M = Li, Na, and K), have been theoretically designed and investigated by means of density functional theory computations. These species have diverse structural isomers, in whic…
As nanoparticles (NPs) enter into biological systems, they are immediately exposed to a variety and concentration of proteins. The physicochemical interactions between proteins and NPs are influenced by the surface properties of the NPs. To identify the effects of NP surface heterogeneity, the interactions between bov…
Interfacial adhesion between graphene and a SiO2 substrate is studied by density functional theory (DFT) with dispersion corrections. The results demonstrate the van der Waals (vdW) interaction as the predominate mechanism for the graphene/SiO2 interface. It is found that the interaction strength is strongly influence…
Phosphorene is a unique single elemental semiconductor with two-dimensional layered structures. In this letter, we study the transistor behavior on mechanically exfoliated few-layer phosphorene with the top-gate. We achieve a high ON-current of 144 mA/mm and hole mobility of 95.6 cm2/V·s. We deposit Al2O3by atomic lay…
We consider polyelectrolyte solutions which, under suitable conditions, phase separate into a liquid-like coacervate phase and a coexisting supernatant phase that exhibit an extremely low interfacial tension. Such interfacial tension provides the basis for most coacervate-based applications, but little is known about…
A series of large scale Mx Co3-x O4 (M=Co, Ni, Zn) nanoarray catalysts have been cost-effectively integrated onto large commercial cordierite monolithic substrates to greatly enhance the catalyst utilization efficiency. The monolithically integrated spinel nanoarrays exhibit tunable catalytic performance (as revealed…
The self-assembly process of photonic structures made of cellulose nanocrystals is studied in detail by locally monitoring and controlling water evaporation. Three different stages during the evaporation process are identified. Spectroscopy quantifies the amount of disorder in the fabricated samples. Control of this p…