Materials Literature
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A series of paddlewheel diruthenium(ii, ii) complexes with various fluorine-substituted benzoate ligands were isolated as THF adducts and structurally characterized: [Ru(2)(F(x)PhCO(2))(4)(THF)(2)] (F(x)PhCO(2)(-) = o-fluorobenzoate, o-F; m-fluorobenzoate, m-F; p-fluorobenzoate, p-F; 2,6-difluorobenzoate, 2,6-F(2); 3,…
Temperature dependent luminescence experiments are combined with femtosecond time-resolved transient absorption spectroscopy to decipher the photoinduced excited-state relaxation pathway in mononuclear Fe, Ru and Os terpyridine complexes bearing a conjugated chromophore within the ligand framework. The herein presente…
We have investigated the electronic and structural properties of inorganic nanoribbons (BN, AlN, GaN, SiC, and ZnO) with unpassivated zigzag edges using density functional theory calculations. We find that, in general, the unpassivated zigzag edges can lead to spin-splitting of energy bands. More interestingly, the in…
QM/MM studies of the hydrolysis of a β-lactam antibiotic molecule (biapenem) catalyzed by a monozinc β-lactamase (CphA) have revealed the complete reaction mechanism and shown that an experimentally determined enzyme-intermediate complex is a stable intermediate or product in a minor pathway.
The formation of Au25@SiO2 is reported in which the quantum clusters (QCs) are embedded in a layer of silica. Polydisperse AumSGn QCs are converted rapidly into monodisperse Au25 QCs by the addition of (3-mercaptopropyl)trimethoxysilane (MPTS) with ≈7-times-higher yield when compared to the glutathione-mediated synthe…
The self-assembly of amyloid peptides is influenced by hydrophobicity, charge, secondary structure propensity, and sterics. Previous experiments have shown that increasing hydrophobicity at the aromatic positions of the amyloid-β 16-22 fragment (Aβ(16-22)) without introducing steric restraints greatly increases the ra…
In this report, we present a new method for visual detection of Pb2+. Gold nanoparticles (Au-NPs) were synthesized in one step at room temperature, using gallic acid (GA) as reducer and stabilizer. Pb2+ is added during the gold nanoparticle formation. Analysis of Pb2+ is conducted by a dual strategy, namely, colorimet…
Luminescent TbPO4 nanoparticles were synthesized via a citric-acid-mediated hydrothermal route. Eu3+ doping of TbPO4 enables an efficient Tb3+-to-Eu3+ energy transfer, leading to a four-fold increase of the absolute emission quantum yield (QY), compared to that of undoped TbPO4. To check the potential of biological us…
We report on the synthesis and optical and structural characterization of ultrasmall (<2 nm) CdS nanoparticles with a narrow size distribution of 10% prepared in aqueous and alcohol solutions of polyethyleneimine (PEI). The PEI-stabilized CdS nanoparticles reveal a structured absorption band with the first excitonic m…
Molecularly chemisorbed O 2 species were directly imaged on reduced TiO 2 (110) at 50 K with high-resolution scanning tunneling microscopy (STM). Two different O 2 adsorption channels, one at bridging oxygen vacancies (V O ) and another at 5-fold coordinated terminal titanium atoms (Ti 5c ), have been identified. Whil…
Plasmonic scattering from metal nanostructures presents a promising concept for improving the conversion efficiency of solar cells. The determination of optimal nanostructures and their position within the solar cell is crucial to boost the efficiency. Therefore we established a one-dimensional optical model combining…
We report on assembly and stimuli-response behavior of layer-by-layer (LbL) films of pH- and temperature-responsive cationic diblock copolymer micelles (BCMs) of poly(2-(dimethylamino)ethyl methacrylate)-block-poly(N-isopropylacrylamide) (PDMA-b-PNIPAM) and a linear polyanion polystyrene sulfonate (PSS). As a function…
We study the correspondence between the nontrivial topological properties associated with the individual valleys of gapped bilayer graphene (BLG), as a prototypical multivalley system, and the gapless modes at its edges and other interfaces. We find that the exact connection between the valley-specific Hall conductivi…
The SERS spectra of adenine recorded under a broad range of pH values and concentrations using both silver and gold colloids provided evidence for the existence of several distinct species. At high concentration (0.5−10 ppm), the spectra recorded between pH 1 and 11 showed only two distinct spectra, rather than the th…
Au has been loaded (1% wt.) on different commercial oxide supports (CuO, La2O3, Y2O3, NiO) by three different methods: double impregnation (DIM), liquid-phase reductive deposition (LPRD), and ultrasonication (US). Samples were characterised by N2 adsorption at −196 °C, high-resolution transmission electron microscopy,…
The pathologic self-assembly of proteins is associated with typically late-onset disorders such as Alzheimer's disease, Parkinson's disease, and type 2 diabetes. Important mechanistic details of the self-assembly are unknown, but there is increasing evidence supporting the role of transient α-helices in the early even…
Spin-splittings of 57 octahedral first-row transition metal complexes calculated with B3LYP are compared with a database of experimental spectra collected from the literature. A variety of transition metal centers in various oxidation states and multiplicities along with a number of different coordinating ligands are…
Single-walled carbon nanotubes (SWNTs) possess unique electronic properties that make them very promising materials for use in both nano-electronics and thin film devices. However, SWNTs are always produced as a mixture of metallic and semiconducting nanotubes, which is a major roadblock to their widespread applicatio…
Ultrafast dynamics of the light-matter interaction in a charge-ordered molecular insulator α-(BEDT-TTF)2I3 were studied by pump-probe spectroscopy using few-optical-cycle infrared pulses (pulse width 12 fs). Coherent oscillation of the correlated electrons and subsequent Fano destructive interference with intramolecul…
The superconducting and magnetic properties of ${\text{Fe}}_{y}{\text{Se}}_{0.25}{\text{Te}}_{0.75}$ single crystals $(0.9\ensuremath{\le}y\ensuremath{\le}1.1)$ were studied by means of x-ray diffraction, superconducting quantum interference device magnetometry, muon-spin rotation, and elastic neutron diffraction. The…