Materials Literature
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In this study, we report the first preparation of phase-pure Co9S8 yolk–shell microspheres in a facile two-step process and their improved electrochemical properties. Yolk–shell Co3O4 precursor microspheres are initially obtained by spray pyrolysis and are subsequently transformed into Co9S8 yolk–shell microspheres by…
Two new arene inverted-sandwich complexes of uranium supported by siloxide ancillary ligands [K{U(OSi(OtBu)3)3}2(μ-η(6):η(6)-C7H8)] (3) and [K2{U(OSi(OtBu)3)3}2(μ-η(6):η(6)-C7H8)] (4) were synthesized by the reduction of the parent arene-bridged complex [{U(OSi(OtBu)3)3}2(μ-η(6):η(6)-C7H8)] (2) with stoichiometric amo…
The macroscopic properties of metallic materials depend on the state of the grain microstructure.Recrystallization acts as one of the most important mechanisms in the evolution of the microstructure and hence also of the macroscopic properties.This paper presents a mesoscale model of microstructure evolution due to re…
Syntheses, structural, and photoluminescence properties of {[4-X-3,5-(CF3)2Pz]M}3 (X = Cl or Br, M = Cu or Ag) containing a heavier halide at the pyrazolyl ring 4-positions are reported. The Cu2O and Ag2O react with [4-Cl-3,5-(CF3)2Pz]H or [4-Br-3,5-(CF3)2Pz]H to form the corresponding metal pyrazolates, which are tri…
A mechanism of the adhesion between carbon fiber and epoxy resin is studied by using density functional theory (DFT) calculations. Surface structures of carbon fiber were modeled by the armchair-edge structure of graphite functionalized with OH and COOH groups. DFT calculations were performed to construct two realisti…
Gold nanorod-attached PEGylated graphene-oxide (AuNR-PEG-GO) nanocomposites were tested for a photothermal platform both in vitro and in vivo. Cytotoxicity of AuNR was reduced after encapsulation with PEG-GO along with the removal of cetyltrimethylammonium bromide (CTAB) from AuNR by HCl treatment. Cellular internaliz…
Miniaturized atmospheric pressure glow discharges (APGDs) were generated in contact with small sized flowing liquid cathode systems. As anodes a solid pin electrode or a miniature flow Ar microjet were applied. Both discharge systems were operated in the open to air atmosphere. Hydrogen peroxide (H2O2) as well as ammo…
A novel core–shell TiO 2 microsphere scattering layer, with superior surface area and scattering properties, shows superior performance in dye-sensitized solar cells.
Energetische 3D-MOFs: Energetische dreidimensionale Metall-organische Gerüste (MOFs) wurden hergestellt und charakterisiert. Die MOFs sind thermisch gut stabil und wenig empfindlich gegen Stöße, Reibung und elektrostatische Entladung. Das abgebildete poröse MOF hat eine beispiellose Detonationswärme von 3.62 kcal g−1.
A novel n-type material, an alkylated decacyclene triimide (DTI), is utilized in organic photovoltaic devices as the first non-fullerene acceptor that performs efficiently with the benchmark donor polymer poly(3-hexylthiophene) (P3HT) as well as various narrow band gap polymers.
The global minimum geometries of BeCN2 and BeNBO are linear BeN-CN and BeN-BO, respectively. The Be center of BeCN2 binds He with the highest Be-He dissociation energy among the studied neutral He-Be complexes. In addition, BeCN2 can be further tuned as a better noble gas trapper by attaching it with any electron-with…
We use dipolar phosphonic acid self-assembled monolayers (PA SAMs) to modify the work function of the hole-extracting contact in polymer/fullerene bulk heterojunction solar cells. We observe a linear dependence of the open-circuit voltage ( V OC ) of these organic photovoltaic devices on the modified indium tin oxide…
Bridging P(^)N ligands bearing five-membered heterocyclic moieties such as tetrazoles, 1,2,4-triazoles, oxadiazoles, thiadiazoles, and oxazoles have been investigated regarding their complexation behavior with copper(I) iodide as metal salts. Different complex structures were found, depending either on the ligand itse…
The yielding behavior of interstitial-free steels and low-carbon steels with varying amounts of C and N were investigated in connection with the Hall–Petch relation. The Hall–Petch coefficient is as small as 150 MPa·µm1/2 in interstitial-free steels but it increases to 600 MPa·µm1/2 by adding solute carbon up to 60 pp…
We report on results on the preparation of thin (<100 nm) aluminum oxide (Al2O3) films on silicon substrates using thermal atomic layer deposition (T-ALD) and plasma enhanced atomic layer deposition (PE-ALD) in the SENTECH SI ALD LL system. The T-ALD Al2O3 layers were deposited at 200 °C, for the PE-ALD films we varie…
An N-terminal L-α-methylvaline dimer induces complete conformational control over the screw sense of an otherwise achiral helical peptide foldamer formed from the achiral quaternary amino acids Aib and Ac6 c. The persistent right-handed screw-sense preference of the helix enables remote reactive sites to fall under th…
Tailored fabrication of nonstoichiometric semiconductor nanocrystals with tunable electronic structures has attracted considerable attention owing to their scientific and technological importance. In this work, we have developed a novel and facile approach to prepare stable Sn 2+ self-doped SnO 2- x nanocrystals with…
In this paper we present modeling studies of air heating by electrical discharges in a wide range of pressures. The developed model is capable of quantifying the different contributions for heating of air at the particle level and rigorously accounts for the vibration‐dissociation‐vibration coupling. The model is vali…
We investigate the relationship between molecular order and charge-transport parameters of the crystalline conjugated polymer poly(3-hexylthiophene) (P3HT), with a particular emphasis on its different polymorphic structures and regioregularity. To this end, atomistic molecular dynamics is employed to study an irrevers…
C60-bodipy triads and tetrads based on the energy-funneling effect that show broadband absorption in the visible region have been prepared as novel triplet photosensitizers. The new photosensitizers contain two or three different light-harvesting antennae associated with different absorption wavelengths, resulting in…