Materials Literature
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An investigation of a runaway chemical reaction in the laboratory highlighted the potential hazards of oxidation chemistry involving hydrogen peroxide in the presence of tungsten catalysts. Under the process conditions, a combination of a high adiabatic temperature rise, an unstable target molecule, and a potentially…
Pyrite type SiP(2) is reinvestigated by first principles calculations on various levels of functionals including local density approximation, generalized gradient approximation, Becke-Lee-Yang-Parr hybrid functional, and the Hartree-Fock method. SiP(2) is seen as a model compound with molecular [P-P] entities and [SiP…
A material in which superconducting and magnetic properties coexist is synthesized by the intercalation of single-molecule magnets into the layered structure of a group V metal dichalcogenide. A molecule-based/solid-state hybrid strategy is here employed, proving as a promising chemical approach for preparing new mate…
Motivated by the experimentally observed $\sqrt{5}\ifmmode\times\else\texttimes\fi{}\sqrt{5}$ iron vacancy order and a block-spin antiferromagnetic phase with large magnetic moment in ${\mathrm{K}}_{0.8}{\mathrm{Fe}}_{1.6}{\mathrm{Se}}_{2}$, we study the magnetic phase diagram of an extended ${J}_{1}\ensuremath{-}{J}_…
White-light electroluminescence (EL) from n-type ZnO (n-ZnO)/p-type GaN (p-GaN) heterojunction light-emitting diodes operated at reverse breakdown bias was reported. The n-ZnO epilayers were grown by atomic layer deposition on p-GaN. The electron tunneling from the deep-level states near the ZnO/GaN interface to the c…
Three holocelluloses (i.e., cellulose and hemicellulose fractions) are prepared from softwood and hardwood by the Wise method. These holocelluloses completely dissolve in 8% lithium chloride/1,3-dimethyl-2-imidazolidinone (LiCl/DMI) after an ethylenediamine (EDA) pretreatment. After diluting the holocellulose solution…
Foreshadowing a new selenium modification …︁? Upon treatment of red, amorphous selenium with the silver salts of two large weakly coordinating anions (WCA), the thermodynamically driven formation of [Ag2Se12]2+ occurred. The structure of the dication is an unprecedented D3d-symmetric 14-vertex cage built from six six-…
We derive a realistic spin-orbital model at finite Hund's exchange for alkali hyperoxides. We find that, due to the geometric frustration of the oxygen lattice, spin and orbital waves destabilize both spin and p -orbital order in almost all potential ground states. We show that the orbital order induced by the lattice…
We demonstrate that aldehyde-substituted donor-acceptor cruciforms [1,4-bis(arylethynyl)-2,5-distyrylbenzenes] are useful dosimeters for primary amines, primary diamines, and secondary amines. The 1,n-diamines are particularly reactive towards this dosimeter and can be detected in less than 100 ppm concentration. Usin…
The recent applications and novelties of lanthanide-sensitized luminescence (LSL) as a detection technique in clinical analysis are here reviewed. In LSL, lanthanide ions form complexes with organic compounds; in these complexes, the energy absorbed by the organic chromophore (usually the analyte) at its characteristi…
This paper examines the validity and accuracy of cylindrical shell theories in predicting the critical buckling strains of axially loaded single-walled carbon nanotubes (CNTs). The shell theories considered are the Donnell thin shell theory (DST), the Sanders thin shell theory (SST), and the first-order shear deformat…
We show that in films of strongly coupled PbSe quantum dots multiple electron-hole pairs can be efficiently produced by absorption of a single photon (carrier multiplication). Moreover, in these films carrier multiplication leads to the generation of free, highly mobile charge carriers rather than excitons. Using the…
Highly porous CdTe nanoarchitectures (aerogels) were prepared by sol-gel assembly of discrete nanocrystals followed by supercritical CO(2) drying. CdTe nanocrystal surface functionalization (either phosphine oxide or thiolate) is found to be immaterial to oxidation induced gel formation suggesting that the standard th…
This research work involves the plasma treatment of polyethylene terephthalate fiber to improve performance of various ionic lubricating agents. To do this, polyester fabric was pre-scoured with detergent, treated with atmospheric-air plasma and then coated with anionic, cationic and nonionic emulsions. Chemical and p…
Particle size is widely used to tune the electronic, optical, and catalytic properties of semiconductor nanocrystals. This contrasts with bulk semiconductors, where properties are tuned based on composition, either through doping or through band gap engineering of alloys. Ideally, one would like to control both size a…
The basic optical, electrical and chemical properties of the binary divalent, trivalent and tetravalent lanthanide (Ln = La, . . ., Lu) halides (F, Cl, Br and I), chalcogenides (O, S, Se and Te) and pnictides (N, P, As and Sb) were studied using an empirical model that utilizes the systematic behaviour in the energy d…
The excitation of multiple surface plasmon-polariton (SPP) waves of different linear polarization states and phase speeds by a surface-relief grating formed by a metal and a rugate filter, both of finite thickness, was studied theoretically, using rigorous coupled-wave analysis. The incident plane wave can be either $…
Every day, people and animals contract debilitating and life threatening diseases due to bites from infected flies, ticks, and mosquitoes. The current methods utilized to fight against these diseases are only partially effective or safe for humans and animals. When it comes to insect vector control, a conceptual parad…
We have performed ac susceptibility and dc magnetization measurements in Ni(50-x)Co(x)Mn(38)Sb(12) Heusler alloys. From the ac susceptibility measurements, the existence of reentrant spin glass (RSG) state is observed for x=0-5. It is found that the signature of RSG behavior diminishes with increase in x. This behavio…
First-principles calculations are performed to investigate the effect of vacancies on the electronic structure and magnetic properties of the two prototypical half-Heusler semiconductors NiTiSn and CoTiSb. The spin degeneracy of the host materials is broken for all types of isolated vacancies under consideration, exce…