Materials Literature
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Volatile metal complexes are important for chemical vapour deposition (CVD) and atomic layer deposition (ALD) to deliver metal components to growing thin films. Compounds that are thermally stable enough to volatilize but that can also react with a specific substrate are uncommon and remain unknown for many metal cent…
The rate constants of activation and termination were determined for SET-LRP/SARA-ATRP polymerizations of methyl acrylate. Measurement of the rate of generation of CuBr 2 throughout the reaction (using data from Levere et al., Macromolecules 2012, 45, 8267–8274) allowed evaluation of the chain length dependence of the…
We suggest that the nuclear tunneling effect is important in organic semiconductors, which we showed is absent in both the widely employed Marcus theory and the band-like transport as described by the deformation potential theory. Because the quantum nuclear tunneling tends to favor electron transfer while heavier nuc…
Hierarchical TiO2-CuInS2 core-shell nanoarrays were fabricated directly on conducting glass substrates (FTO) via facile and low-cost hydrothermal and polyol reduction methods for photoelectrochemical (PEC) water splitting using TiO2 branched nanorod arrays (BNRs) as the reactive framework. An enhanced optical property…
Methods capable of exhaustively screening for crystal polymorphism remain an elusive goal in solid-state chemistry. Particularly promising among the new generation of approaches is polymer-induced heteronucleation (PIHn), a tool utilizing hundreds of unique polymers for granting kinetic access to polymorphs. Here PIHn…
Fe(II) sorption edges and isotherms have been measured on low structural Fe-content montmorillonite (STx) and high structural Fe-content montmorillonite (SWy) under anoxic (O2 < 0.1 ppm) and strongly reducing conditions (Eh = -0.64 V). Under anoxic conditions Fe(II) sorption on SWy was significantly higher than on STx…
The association of a concave macrocyclic compound to one or multiple fluorophores is an appealing strategy for the design of chemosensors. Indeed, as with biological systems, a cavity-based selectivity can be expected with such fluorescent receptors. Examples of calix[6]arene-based systems using this strategy are rare…
In this study, we demonstrate the epitaxial growth of BaTiO3 on Ge(001) by molecular beam epitaxy using a thin Zintl template buffer layer. A combination of density functional theory, atomic-resolution electron microscopy and in situ photoemission spectroscopy is used to investigate the electronic properties and atomi…
Multilevel resistive switching effect has been demonstrated in Pt/Bi12TiO20/Pt structures, in which the sillenite structure Bi12TiO20 thin films were prepared by a chemical solution deposition method. The non-volatile multilevel resistive switching can be easily realized by changing either the compliance current durin…
In this Letter, we demonstrated that both a high energy-storage density and a large piezoelectric response can be attained simultaneously in relaxor-ferroelectric 0.4Bi(Ni1/2Zr1/2)O3-0.6PbTiO3 films prepared by chemical solution deposition. The as-prepared films had a pure-phase perovskite structure with an excellent…
In this work, we derive the interface exchange boundary conditions for the classical linear dynamics of magnetization in ferromagnetic layers with the interface Dzyaloshinskii-Moriya interaction (IDMI). We show that IDMI leads to pinning of dynamic magnetization at the interface. An unusual peculiarity of the IDMI-bas…
Coimpregnating binary cobalt/molybdenum/alumina (CoMo/Al 2 O 3 ) catalyst with adding ethylenediamine was studied for carbonization, sulfidation, and hydrodesulfurization using experimental methods. In order to understand the mechanism of carburization of active phases, theoretical CoMo/Carbon models were produced usi…
A new experimental procedure based on attenuated total reflection infrared spectroscopy has been developed to investigate surface species under liquid phase reaction conditions. The technique has been tested by investigating the enhanced selectivity in the hydrogenation of α,β-unsaturated aldehyde citral over a 5% Pt/…
CONSPECTUS: The emerging field of flexible electronics based on organics and two-dimensional (2D) materials relies on a fundamental understanding of charge and spin transport at the molecular and nanoscale. It is desirable to make predictions and shine light on unexplained experimental phenomena independently of exper…
The structure of the orthorhombic (Pbnm) polytype of ${\text{SrIrO}}_{3}$ has been investigated between 3 and 1100 K using a combination of synchrotron and neutron diffraction methods. The orthorhombic structure persists to 1100 K, the highest temperature available in this work. This is a consequence of the larger tha…
Aggregation of α-synuclein has been implicated in Parkinson's disease (PD). While many compounds are known to inhibit α-synuclein aggregation, dissolution of aggregates into their constituent monomers cannot be readily achieved. In this study, using a range of techniques, we have shown that an optimized cocktail of cu…
The current understanding of soot particle morphology in diesel engines and their dependency on the fuel injection timing and pressure is limited to those sampled from the exhaust. In this study, a thermophoretic sampling and subsequent transmission electron microscope imaging were applied to the in-flame soot particl…
In this theoretical study, we employ a codoping strategy to reduce the band gap of NaTaO3 aimed at improving the photocatalytic activity under visible light. The systematic study includes the effects of metal (W) and nonmetal (N) codoping on the electronic structure of NaTaO3 in comparison to the effect of individual…
BACKGROUND: Andrographolide (ADG) isolated from Andrographis paniculata exhibits anti-inflammatory and anticancer activities, but high hydrophobicity and poor bioavailability greatly restricts its clinical application. OBJECTIVES: In this study, ADG was encapsulated in a micelle formulation based on poly (D,L-lactide-…
Hydration effects on a pair of methane molecules are investigated by extensive constant-pressure (NPT) sampling using the TIP4P model of water under 1, 1000, 2000, and 3000 atm. The volume distributions of pure water and of methanes plus water are determined directly as functions of methane-methane distance ξ. The cor…