Materials Literature
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The three-dimensional (3D) Dirac point, where two Weyl points overlap in momentum space, is usually unstable and hard to realize. Here we show, based on the first-principles calculations and effective model analysis, that crystalline $A_3$Bi ($A$=Na, K, Rb) are Dirac semimetals with bulk 3D Dirac points protected by c…
Charge lost per unit surface area of a silicon electrode due to the formation of solid-electrolyte-interphase (SEI) layer during initial lithiation was quantified, and the species that constitute this layer were identified. Coin cells made with Si thin-film electrodes were subjected to a combination of galvanostatic a…
We have recently predicted and subsequently verified experimentally by specific heat measurements that EuTiO3 undergoes a structural phase transition at elevated temperature TS = 282 K. The origin of the phase transition has been attributed to the softening of a transverse acoustic mode stemming from an oxygen octahed…
Regioisomers of self-assembling molecules resulted in the evolution of distinct 0D and 1D nanostructures, namely nanorings and nanorods (see picture). J- and H-type excitonic coupling of naphthalene chromophores was found in the nanostructures. The bulk liquid-crystalline states contain hydrogen-bonded rosettes, which…
Crystal structure analyses for biological macromolecules without known structural relatives entail solving the crystallographic phase problem. Typical de novo phase evaluations depend on incorporating heavier atoms than those found natively; most commonly, multi- or single-wavelength anomalous diffraction (MAD or SAD)…
We describe the fabrication of arrays of nanowires on glass in which a gold core nanowire is encapsulated within a hemicylindrical shell of manganese dioxide. Arrays of linear gold (Au) nanowires are first prepared on glass using the lithographically patterned nanowire electrodeposition (LPNE) method. These Au nanowir…
Many small molecules, including bioactive molecules and approved drugs, spontaneously form colloidal aggregates in aqueous solution at micromolar concentrations. Though it is widely accepted that aggregation leads to artifacts in screens for ligands of soluble proteins, the effects of colloid formation in cell-based a…
Highly active: Surfactant-free Ni nanocatalysts were highly dispersed into the nanoporous carbon support MSC-30 through a dry process, and the obtained Ni@MSC-30 catalyzed the generation of H2 from the hydrolysis of ammonia borane at room temperature (see picture). The improvement of the performance of surfactant-free…
The conventional analysis of Perdew and Levy, and Sham and Schlüter shows that the functional derivative discontinuity of the exchange-correlation density functional plays a critical role in the correct prediction of bandgaps, or the chemical hardness. In a recent work by the present authors, explicit expressions for…
Tubes from tubes: Microporous organic nanotubes were prepared by Sonogashira coupling between tetrakis(4-ethynylphenyl)methane and N,N′-di(4-iodophenyl)-4,4′-bipyridinium dichloride. These nanotubes were used as a template for secondary inorganic materials, namely Fe2O3 nanotubes with a high discharge capacity and exc…
Graphene can at present be grown at large quantities only by the chemical vapor deposition method, which produces polycrystalline samples. Here, we describe a method for constructing realistic polycrystalline graphene samples for atomistic simulations, and apply it for studying their mechanical properties. We show tha…
${}^{18}$O/${}^{16}$O exchange and subsequent time-of-flight secondary ion mass spectrometry (ToF-SIMS) analysis was employed to investigate the transport of oxygen, and thus the behavior of oxygen vacancies, in [nominally undoped, (100) oriented] single-crystal SrTiO${}_{3}$ substrates. Isotope exchange anneals were…
We study the electronic structure of ultrathin zinc-blende two-dimensional (2D)-CdSe nanosheets both theoretically, by Hartree-renormalized k·p calculations including Coulomb interaction, and experimentally, by temperature-dependent and time-resolved photoluminescence measurements. The observed 2D-heavy hole exciton s…
We present detailed studies of potassium doping in PbTe(1-y)Se(y) (y = 0, 0.15, 0.25, 0.75, 0.85, 0.95, and 1). It was found that Se increases the doping concentration of K in PbTe as a result of the balance of electronegativity and also lowers the lattice thermal conductivity because of the increased number of point…
Finessing Crystal Analysis Protein crystallography has revolutionized our understanding of a whole variety of biological processes (see the Perspective by Evans ). In crystallography, the measure of agreement between the data and the calculated model is not on the same scale as the measure of data quality, making it c…
Hexagonal-prismatische Cu1.94S-ZnS-, Cu1.94S-ZnS-Cu1.94S- und Cu1.94S-ZnS-Cu1.94S-ZnS-Cu1.94S-Nanostrukturen können mit schrauben-, hantel- und sandwichartigen Formen hergestellt werden. In der Zuschrift auf S. 6471 ff. zeigen S.-H. Yu et al., dass der Produkttyp über das Molverhältnis der Vorstufen CuI und [Zn(S2CNEt…
A Comment on the Letter by David O. Scanlon and Graeme W. Watson, Phys. Rev. Lett. 106, 186403 (2011). The authors of the Letter offer a Reply.Received 15 July 2011DOI:https://doi.org/10.1103/PhysRevLett.108.219703© 2012 American Physical Society
Workers who maintain the water chambers of steam generators during maintenance periods in nuclear power plants (NPPs) have a higher likelihood of high radiation exposure, even if they are exposed for a short period of time. In particular, it is expected that the hands of workers would receive the highest radiation exp…
Abstract The overpotential of carbon monoxide (CO) fuel was analyzed with a 100‐cm 2 class molten carbonate fuel cell. The overpotential at the anode was measured using the steady state polarization, inert gas step addition, and reactant gas addition methods. Then, the overpotential was compared between normal hydroge…
Lightweight, flexible and highly efficient microwave absorbing single-walled carbon nanotube (SWNT)/polymer composites were fabricated through chemical functionalisation to ensure uniform dispersion of SWNTs in a polymer matrix. These composites were used to fabricate thin electromagnetic absorption coatings, which ac…