Materials Literature
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The electronic structure and magnetic properties of atomic sulfur and oxygen adsorbed on the iron (001) surface are examined using density functional theory (DFT). The sulfur/oxygen coverage is considered from a quarter of one monolayer (ML) to a full monolayer. The work function change, magnetic properties, and densi…
The competing spin orders and fractional magnetization plateaus of the classical Heisenberg model with long-range interactions on a Shastry-Sutherland lattice are investigated using Monte Carlo simulations, in order to understand the fascinating spin ordering sequence observed in TmB4 and other rare-earth tetraborides…
A range of novel octahedral iron(IV)-nitrido complexes with the TMC ligand (TMC = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane) in the equatorial plane and one axial ligand trans to the nitrido have been designed theoretically, and a systematic comparative study of their geometries, electronic properties, an…
The interaction of ligands and drug molecules with protein is of major interest in drug pharmacokinetics and pharmacodynamics. In this study, we synthesized a novel thiosemicarbazone-based amphiphilic molecule for selective binding and detection of human serum albumin (HSA) with significant increase in fluorescence in…
The energetics and dynamics of the various phases of decanethiolate self-assembled monolayers on Au(111) surfaces were studied with scanning tunneling microscopy. We have observed five different phases of the decanethiolate monolayer on Au(111): four ordered phases (β, δ, χ*, and φ) and one disordered phase (ε). We ha…
We report the electronic and magnetic phase diagram of Ca${}_{3}$(Ru${}_{1\ensuremath{-}x}$Ti${}_{x}$)${}_{2}$O${}_{7}$. With Ti doping, the system evolves from a quasi-two-dimensional metal with ferromagnetic (FM) bilayers coupled antiferromagnetically along the $c$ axis (AFM-b) for $x=0$, to a weakly localized state…
Herein, we describe the first report on a new class of disk-shaped and quite monodisperse water-soluble nanomaterials that we named glyconanosomes (GNS). GNSs were obtained by sliding out the cylindrical structures formed upon self-organization and photopolymerization of glycolipid 1 on single-walled carbon nanotube (…
Catching the sunlight: The disordered Co1.28Mn1.71O4 was synthesized by a facile reduction method in the presence of amorphous MnO2 precursors and Co(2+). It exhibits relatively high hydrogen-production activity under visible-light irradiation (see figure). The larger number of active sites in the bulk catalyst endow…
We have investigated the (001) surface structure of lithium titanate (Li 2 TiO 3 ) using auger electron spectroscopy (AES), low-energy electron diffraction (LEED), and scanning tunneling microscopy (STM). Li 2 TiO 3 is a potential fusion reactor blanket material. After annealing at 1200 K, LEED demonstrated that the L…
Catalytic propane dehydrogenation has been tested on different reactor configurations employing Pt–Sn/MgAl 2 O 4 as a catalyst. Hollow fiber palladium membranes coupled to the two-zone fluidized bed reactor (TZFBR) combine the possibility of improving propane conversion by hydrogen removal from the reaction bed throug…
Graphite nanoplatelets (GNPs) react with elemental sulfur to provide a mechanically stable, spongy material characterized by good electrical conductivity and high surface development; such unique property combination makes these novel nanostructured materials very useful for applications in different technological fie…
Recent developments in energy conservation have sought internal heat integration through side heat exchangers as an attractive energy-efficient alternative to reduce the energy consumption in conventional distillation. However, it is difficult to estimate the effect on the reduction of reboiler duty through internal h…
During the recent decades, high-nitrogen heterocyclic compounds have been recognized as one class of promising energetic materials.[1][2][3] These energetic compounds with high nitrogen content have high heat of formation due to the large number of N-N and C-N bonds.4,5 A number of heterocyclebased energetic compounds…
Central composite design method was used to design and optimize the best content of initiator, cross-linker, neutralizer and plant natural fibers of cotton and oil empty fruit bunch. The effect of buffer and saline solution on plant natural fiber based polymer hydrogel composites was investigated. The influences of pl…
This chapter contains sections titled: Introduction Bottom Blown Oxygen Technology
Hybrid nanoparticles (NPs) composed of multiple components offer new opportunities for next-generation materials. In this study, a paradigm for the noble metal/ternary complex oxide hybrid NPs is reported by adopting pulsed laser ablation in liquids. As model hybrids, gold-spinel heterodimer (Au-CoFe2O4) and gold-perv…
The magnetic modulation of the surface plasmon-polariton (SPP) wavevector is experimentally and theoretically studied for the plasmonic modes excited in metal-insulator-metal (MIM) magnetoplasmonic cavities. For this purpose, Ag/SiO₂/Ag multilayers with different SiO₂ layer thickness in which a thin Co layer is positi…
In this work, we focus on the study of the structural and elastic properties of mercury digallium selenide (HgGa2Se4) which belongs to the family of AB2X4 ordered-vacancy compounds with tetragonal defect chalcopyrite structure. We have carried out high-pressure x-ray diffraction measurements up to 13.2 GPa. Our measur…
We evaluate whether lattice or internal phonons dominate the thermal excitation of the N-N bonds in α-cyclotrimethylene trinitramine (α-RDX) by computing the fractional contributions of phonon modes to the excitation of all atomic interactions. We derive a method to compute these contributions, which we call mode ener…
Collagen-based biomaterials suffer from poor mechanical properties and rapid degradation. Elastin-like polypeptides (ELPs) possess good biocompatibility and have unique solution properties that allow them to coacervate above a critical temperature. The objective of this research was to prepare a series of freeze dried…