Materials Literature
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An optimized hybrid planar heterojunction (PHJ) of small molecule organic solar cells (SM‐OSCs) based on copper phthalocyanine (CuPc) as donor and fullerene (C60) as acceptor was fabricated, which obviously enhanced the performance of device by sequentially using both MoO3 and pentacene as double anode buffer layers (…
As an incremental forming process of bulk metal, ring rolling provides a cost effective process route to manufacture seamless rings. Applications of ring rolling cover a wide range of products in aerospace, automotive and civil engineering industries. Under some process conditions, defects such as porosity can sometim…
The effects of the electron mobilities and energy levels of different electron transport layer (ETL) materials on the performances were systemically investigated in blue phosphorescent organic light-emitting diodes. The spatial control of recombination zone (RZ) which was accompanied with triplet exciton quenching aff…
The maleate isomerase (MI) catalysed isomerization of maleate to fumarate has been investigated using a wide range of computational modelling techniques, including small model DFT calculations, QM-cluster approach, quantum mechanical/molecular mechanical approach (QM/MM in the ONIOM formalism) and molecular dynamics s…
A difunctional counter electrode composed of platinum nanoparticles supported on regular In 2 O 3 nanooctahedra demonstrates good catalytic activity and excellent light scattering.
The essential aspects of zero-temperature grand-canonical ensemble density-functional theory are reviewed in the context of spin-density-functional theory and are used to highlight the assumption of symmetry between electron addition and subtraction that underlies the corrected Koopmans approach of Tozer and De Proft…
A special structure, calcium molybdate (CaMoO4) notched microspheres, were prepared by a solution-phase rapid-injection-based route using only CaCl2, (NH4)6Mo7O24, and sodium dodecyl sulfate as reagents and ethylene glycol as a solvent. X-ray diffraction, scanning electron microscopy, transmission electronic microscop…
The DFT‐based frequency estimations have inherent limitations such as spectral leakage and picket‐fence effect due to asynchronous sampling. This paper focuses on comparing the windowed interpolation FFT (WIFFT) and quasisynchronous sampling algorithm (QSSA) for frequency estimation. The WIFFT uses windows to reduce s…
The synthesis, structural characterization, and performance evaluation of silsesquioxane - based sulfonated polyether ether ketone (SPEEK) composite membranes for direct methanol fuel cell (DMFC) applications are presented. 3-(trihydroxysilyl)-1-propanesulfonic acid (TPS) was used as a silsesquioxane (SQO) precursor.…
Head-to-tail photodimerization of thiophene is achieved in a co-crystal while a co-crystal with an acid dimer and heterosynthon is also described.
Single-walled carbon nanotubes (SWNTs) have gained interest for their biocompatibility and multifunctional properties. Ultra-short SWNTs (US-tubes) have demonstrated high proton relaxivity when encapsulating gadolinium ions (Gd(3+)) at clinical field strengths. At higher field strengths, however, Gd(3+) ions demonstra…
Air cathode earthen pot microbial fuel cell (ACEMFC) was made using low cost earthen pots as a separator coated with conductive carbon black on the exterior to work as a cathode. ACEMFC was operated in fed-batch mode with synthetic wastewater containing acetate as anolyte (0.40 L) at a fixed external resistance of 100…
Increasing urbanization, industrialization and over population is one of the leading causes of environmental degradation and pollution. Heavy metals viz. Pb, Zn, Cd, As etc. are the toxic pollutants which show hazardous effects on all living beings. Lead is one such pollutant which disrupts the entire food chain and i…
This study investigated the temperature dependence of the current-voltage ( I - V ) characteristics of Al-doped Mg x Zn 1-x O/ p -AlGaN junction diodes. The n -type Al-doped Mg x Zn 1-x O (AMZO) films were deposited on p -AlGaN using a radio-frequency (rf) magnetron sputtering system followed by annealing at 700, 800,…
The shift with increasing concentration of alkali-metal cations of the potentials of both the spike and the hump observed in the cyclic voltammograms of Pt(111) electrodes in sulfuric acid solutions is shown to obey the simple model recently developed by us to explain the effect of non-covalent interactions at the ele…
The surface chemistry of Mn-containing thin film ALD with methylcyclopentadienylmanganese(I) tricarbonyl (MeCpMn(CO) 3 ) was contrasted when using an oxidizing (N 2 O) versus a reducing (H 2 ) co-reactant by taking X-ray photoelectron spectra (XPS) of the SiO 2 /Si(100) substrate after each half cycle of the first thr…
Commercial and liquid-feed flame spray pyrolysis (LF-FSP) processed nano-BaTiO3 with average particle sizes (APSs) of 50 nm were mixed with [glycidylSiMe2OSiO1.5]8 (OG, Q cage epoxy) and diaminodiphenylmethane (DDM) at loadings of 30, 40 and 50 vol% (69, 77 and 83 wt%) to form nano-nanocomposites. We demonstrate proce…
Well‐defined nanosheet‐assembled (BiOCl)x(ZnO)1−x nanoflowers were synthesized by a solvothermal method. It was found that ZnO nanoparticles were anchored on the flower‐like BiOCl nanostructures, as demonstrated by varying the initial compositions of the Bi precursor and the volume ratios of mixed solvents (ethylene g…
A facile method is described for synthesizing quasi-cotton fiber and spherical nickel nanostructures via a thermal reduction of Ni(acac)2 (acac = acetylacetonate) in N,N-dimethylformamide (DMF) and in the presence and absence of sodium thiosulfate, respectively. XPS analysis revealed the existence of Ni(2+) and SO4(2-…
Catenane structures, in which two or more rings are mechanically interlocked, have historically occupied one of the central places in the field of supramolecular chemistry. In contrast to synthetic small-molecule catenanes, examples of naturally-occurring catenanes are scarce. Here, we report thermodynamic and enzymat…