Materials Literature
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Using state of the art spin polarized density functional theory, we report the stability and structural aspects of small magnetic clusters M(4) (M = Fe, Co, and Ni) inside an inert boron nitride nanotube [BNNT(10,0)]. The geometry optimization was carried out starting with various possible configurations [one-dimensio…
Based on first-principles calculations, we present a study for p-type ZnO doping. We find that by doping Fe into the p-type ZnO, the resulting FeZn–2NO complex is a stable acceptor that has shallower ε(0/−) transition level and lower formation energy in comparison with the isolated NO. Moreover, the FeZn–VZn pair is a…
Abstract We describe the design, synthesis, characterization, and testing of novel polyurethanes (PUs) exhibiting unprecedented combinations of outstanding mechanical properties and oxidative/hydrolytic stabilities. This achievement is due to the use of polyisobutylene (PIB) soft segments plus flexible H‐bond acceptor…
The unique electronic structure and optical properties of double-walled carbon nanotubes (DWNTs) have made them a key focus material of research in recent years. However, the incorporation of DWNTs with quantum dots (QDs) into nanocomposites via a covalent chemical approach as well as the optical properties of the com…
Thin film transistors with a carbon nanotube (CNT) network as a channel have been fabricated using grid-inserted plasma-enhanced chemical vapor deposition (PECVD) which has the advantage of preferential growth of the CNTs with semiconducting behavior in the I-V characteristics of CNT field effect transistors (CNT-FETs…
The pH-dependent membrane adsorption and distribution of three chlorin derivatives, chlorin e6 (CE), rhodin G7 (RG), and monoaspartyl-chlorin e6 (MACE), in the physiological pH range (pH 6-8) were probed by NMR spectroscopy. Unilamellar vesicles consisting of dioleoyl-phosphatidyl-choline (DOPC) were used as membrane…
The recently discovered Fe–As superconducting materials which show high potential ability to carry current due to their low anisotropy have attracted a great number of attentions to understand their superconductivity mechanism and explore their applications. This paper presents a method to synthesis SmFeO0.75F0.20As p…
Novel palladium catalysts supported on alumina supports with the hierarchically macro-/mesoporous structure were prepared and applied to selective hydrogenation of pyrolysis gasoline. The textural, structural, and morphological properties of the catalyst supports were studied by SEM, XRD, and N 2 adsorption−desorption…
We employ molecular dynamics simulation to investigate the rapid melting and subsequent cooling process of zinc oxide (ZnO) nanoparticles in liquid tetradecane upon picosecond laser heating. The coalescence of two neighboring melted nanoparticles into a larger particle and the recrystallization of the latter upon cool…
Methanol dehydrogenation on Pd(111) and various Pd-Zn surface alloy films supported on Pd(111) have been investigated using density functional method in combination with periodic slab models. Calculations show that compared to Pd(111) the interaction between CH(3)O and the films is enhanced, whereas that for CH(2)O an…
Abstract Flame retardant polypropylene (PP) and polystyrene (PS) materials were prepared by the incorporation of decabromodiphenyl oxide and Sb 2 O 3 in addition to nanoparticles, montmorillonite clay, and carbon nanotubes (CNTs). Their fire performance was screened with microscale combustion calorimetry (MCC) as well…
Abstract Poly(lactic acid) (PLA) is a biodegradable polymer derived from sugar‐based materials, and its applications are varied. PLA blends are commonly employed to overcome certain disadvantages such as poor impact strength, low heat distortion temperature, poor processability and relatively high cost. In this study,…
Two new lanostane triterpenes, methyl lucidenate N ( 1) and T-butyl lucidenate B ( 2), were isolated from the fruiting bodies of GANODERMA LUCIDUM together with five known compounds ( 3- 7). The structures of the two new triterpenes were established as methyl 3 β,7 β-dihydroxy-4,4,14 α-trimethyl-11,15-dioxo-5 α-chol-8…
Abstract Many minerals based upon antimonite and antimonate anions remain to be studied. Most of the bands occur in the low wavenumber region, making the use of infrared spectroscopy difficult. This problem can be overcome by using Raman spectroscopy. The Raman spectra of the mineral klebelsbergite Sb 4 O 4 (OH) 2 (SO…
The oxidative polymerization of pyrrole (Py) by cerium(IV) on Poly(Acrylonitrile- co-Vinyl Acetate) matrix was performed. Nanofibers were obtained from this solution by the electrospinning method. A new absorption band was observed corresponding to the CH in plane vibration of polypyrrole (PPy) by Fourier transform in…
One common dilemma encountered in designing a supercapacitor electrode is that the specific capacitance (Cs) of the active material decreases significantly as the active-material loading (mass area− 1) increases. As a result, the geometric capacitance density (GCD; Farad area− 1) of the electrode does not scale up lin…
Novel and extended ZnO/Zn 5 (OH) 8 Ac 2 ·2H 2 O architectures are desirable for many applications. Here we report on the design and growth of the novel ZnO/Zn 5 (OH) 8 Ac 2 ·2H 2 O architectures by a hydrothermal synthesis approach. ZnO microrods and/or columnar film are grown in the aqueous solution containing Zn(Ac)…
Silanol (SiOH) groups on silica particle surfaces undergo silylation reactions with organosilane molecules to give functionalized particles, which are used in many applications. The determination of the extent of this reaction is important for proper design of functionalized materials, depending upon the application.…
Abstract We have performed first principles total energy calculations to investigate the structural and reactivity parameters of novel N 12 X 12 H 12 (X=B, Al, Ga, In, Tl) nitrides, in their coronene‐like (C 24 H 12 ) structure to simulate these sheets. The exchange and correlations potential energies are treated in t…
We investigated Al(n)S(-) (n=3-15) and Al(n)S(2)(-) (n=7-15) clusters with mass spectrometry and photoelectron spectroscopy. We found that Al(13) is relatively robust when it reacts with sulfur atoms, indicating that it has some superatomic character. However, Al(13) cannot be simply considered as a superatom when it…