Electric-field-induced molecular alignment of side-chain liquid-crystalline polyacetylenes containing biphenyl mesogens

Electric-field-induced molecular alignments of side-chain liquid-crystalline polyacetylenes [-{HC=C[(CH2)(m)OCO-biph-OC7H15]}-, where biph is 4,4'-biphenylyl and m is 3 (PA3EO7) or 9 (PA9EO7)] were studied with X-ray diffraction and polarized optical microscopy. An orientation as high as 0.84 was obtained for PA9EO7. Furthermore, the molecular orientation of]PA9EO7 was achieved within a temperature range between the isotropic-to-smectic A transition temperature and 115 degreesC, and this suggested that the orientational packing was affected by the thermal fluctuation of the isotropic liquid and the mobility of the mesogenic moieties. The maximum achievable orientation for PA9EO7 was much greater than that for PA3EO7. This was the first time that the electric-field-induced molecular orientation of a side-chain liquid-crystalline polymer with a stiff backbone was studied.

Structure and electrochemical characteristics of RENi3 alloy

The RENi3 (RE = La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Y) series compounds have been prepared by arc melting constituent elements under Ar atmosphere. X-ray diffraction (XRD) analysis reveals that the as-prepared alloys have different lattice parameters and cell volumes, depending on different rare earth (RE) element. The electrochemical characteristics, including the electrochemical capacity, P-C isotherms, high rate chargeability (HRC) and high-rate dischargeability (HRD), of these alloys have been studied through the charge-discharge recycle testing at different temperatures, charge currents and discharge currents. The results show that YNi3 has the largest cell volume, smallest density, and moreover, it shows more satisfactory electrochemical characteristics than other alloys, including discharge capacity, HRC, HRD and low temperature dischargeablity.

The structure and electrochemical characteristics of La0.67Mg0.33 (Ni0.8Co0.1Mn0.1)(x) (x=2.5-5.0) multiphase alloys for nickel-metal hydride batteries

This paper presents results concerning structure and electrochemical characteristics of the La0.67Mg0.33 (Ni0.8Co0.1Mn0.1) (x) (x=2.5-5.0) alloy. It can be found from the result of the Rietveld analyses that the structures of the alloys change obviously with increasing x from 2.5 to 5.0. The main phase of the alloys with x=2.5-3.5 is LaMg2Ni9 phase with a PuNi3-type rhombohedral structure, but the main phase of the alloys with x=4.0-5.0 is LaNi(5)phase with a CaCu5-type hexagonal structure. Furthermore, the phase ratio, lattice parameter and cell volume of the LaMg2Ni9 phase and the LaNi5 phase change with increasing x. The electrochemical studies show that the maximum discharge capacity increases from 214.7 mAh/g (x=2.5) to 391.1 mAh/g (x=3.5) and then decreases to 238.5 mAh/g (x=5.0). As the discharge current density is 1,200 mA/g, the high rate dischargeability (HRD) increases from 51.1% (x=2.5) to 83.7% (x=3.5) and then decreases to 71.6% (x=5.0). Moreover, the exchange current density (I-0) of the alloy electrodes first increases and then decrease with increasing x from 2.5 to 5.0, which is consistent with the variation of the HRD. The cell volume reduces with increasing x in the alloys, which is detrimental to hydrogen diffusion and accordingly decreases the low-temperature dischargeability of the alloy electrodes.

Conformational and orientational analyses of 2,2 '-bithiophene under interaction of external electric field constructed by point charges

The fully relaxed single-bond torsional potentials and orientation-related rotational potentials of 2,2'-bithiophene (BT) under the interaction of an external electric field (EF) constructed by point charges have been evaluated with semi-empirical AMI and PM3 calculations. The torsional potentials are sensitive to both EF strength and direction. While the EF is parallel to the molecular long axis, the torsional barrier around C-x-C-x' bond obviously rises with increasing the EF strength, whereas the relative energies of syn and anti minima show a slight change. The interaction between the EF and the induced dipole moment has been proposed to elucidate this observation. On the other hand, the relative energy difference between the syn and anti minima shows an obvious change, while the EF is perpendicular to the molecular long axis. This feature has been ascribed to the interaction between the EF and the permanent dipole moment of BT. Furthermore, conformational and orientational analyses in two dimensions have been carried out by changing the torsional and rotational angles in the different EF. The conformation and orientation of a gas-phase BT in the EF are governed by both the above factors.

Study on single crystals of butyl branched polyethylene in the presence of electric field

Single crystal of butyl branched polyethylene with various molecular weight formed from the melt in the presence of electric field was studied. It was found that electric field influenced morphology and structure of the butyl branched polyethylene single crystals formed. The lateral habits of the single crystals were circular shape, which was different from truncated lozenge or lenticular shape single crystals formed from the melt in the absence of electric field. The stems in the single crystals formed in the presence Of electric field were perpendicular to the basal plane of the single crystals, which was different from chain tilting in single crystals formed from the melt in the absence of electric field. The electron diffraction patterns showed that the structure of the circular single crystals was a quasi-hexagonal with looser chain packing. This looser chain packing was favorable to thickening growth of single crystals through chain sliding diffusion. The thickness of the single crystals was much larger and depended on molecular weight. It indicated that the single crystal in the presence of electric field should be an extended chain type Single crystal.

Conformational analysis of 2,2 '-bithiophene under interaction of external electric field defined by point charges

Conformational analysis of 2,2'-bithiophene (BT) under the influence of an electric field (EF) constructed by point charges has been performed by using semi-empirical Austin Model 1 (AM1) and Parametric model number 3 (PM3) calculations. When the EF perpendicular to the molecular conjugation chain is applied, both AM1 and PM3 calculations show an energy increase of the anti-conformation. AM1 predicts that the global minimum shifts to syn-conformation when the EF strength is larger than a critical value. and PM predicts that the local minimum in anti-conformation vanishes. This kind of EF effect has been ascribed to the EF and dipole moment interaction.

Melt crystallization of poly(ether ether ketone ketone) under strong electric field

In this paper, melt crystallization of poly(ether ether ketone ketone) (PEEKK) under strong electric field was investigated. In the crystal structure of PEEKK, the length of c axis was found to he 1.075 nm, increasing by 7% compared to that of PEEKK crystallized without strong electric field. The molecule chains might take a more extended conformation through the opening of the bridge bond angles by increasing from 124 degrees to 144 degrees under strong electric field in the crystal structure.

Electric field-induced conformational transition of bovine serum albumin from alpha-helix to beta-sheet

The irreversible conformational transition of bovine serum albumin (BSA) from alpha-helix to beta-sheet, induced by electric field near the electrode surface, was monitored by circular dichroism (CD) with a long optical path thin layer cell (LOPTLC).

Structure, electric and magnetic properties of new compounds CdYMWO7 (M = Cr and Mn)

Two new compounds with the formula of CdYMWO7 (M = Cr, Mn) were prepared by solid state reaction. They crystallized with orthorhombic structure with the cell parameters of a = 11.7200 Angstrom, b = 7.1779 Angstrom, c = 6.9805 Angstrom (CdYCrWO7), and a = 11.7960 Angstrom, b = 6.1737 Angstrom, c = 7.6530 Angstrom (CdYMnWO7). These compounds are insulators with high resistivities at room temperature. The temperature dependence of the magnetic susceptibility of CdYMWO7 (M = Cr and Mn) show Curie-Weiss Law's behaviors from 80 to 300 K. The magnetic moments at room temperature fit very well with those corresponding to Cr3+ and Mn3+ ions. This suggests that both Cr and Mn ions exist in + 3 oxidation state in CdYMWO7 compounds. (C) 1998 Elsevier Science Ltd. All rights reserved.

Irreversible capacity loss of graphite electrode in lithium-ion batteries

The irreversible capacity loss of the carbon electrode in lithium-ion batteries at the first cycle is caused mostly by surface film growth. We inspected an unknown irreversible capacity loss (UICL) of the natural graphite electrodes. The charge/discharge behavior of graphite and meso-phase carbon microbeads heat-treated at 2800 degrees C (MCMB28) as the materials of the carbon anode in the lithium-ion battery were compared. It was found that the capacity loss of the natural graphite electrode in the first cycle is caused not only by surface film growth, but also by irreversible lithium-ion intercalation on the new formed surface at the potential range of lithium intercalation, while the capacity loss of the MCMB28 electrode is mainly originated from surface film growth. The reason for the difference of their irreversible capacity losses of these two kinds of carbon material was explained in relation to their structural characteristics. (C) 1997 Published by Elsevier Science S.A.

A study of cokes used as anodic materials in lithium ion rechargeable batteries

A variety of cokes pretreated at different temperatures are used as anodic materials and their electrochemical characteristics are examined by cyclic voltammetry. It is found that for some cokes such as petroleum coke (preheated at 1300 degrees C), pitch coke (1300 degrees C), needle coke (1900 degrees C), metallurgical coke (1900 degrees C), high capacity and cyclic efficiency are achieved. Needle coke (1900 degrees C) and metallurgical coke (1900 degrees C) in particular give a capacity of over 200 mAh/g and a cyclic efficiency of nearly 100%, whereas poor performance is exhibited by those pretreated at higher or lower temperatures, e.g., petroleum cokes (500 degrees C, 2800 degrees C), pitch coke (500 degrees C) and needle coke (2800 degrees C). The cyclic voltammograms show two electrochemical processes, one at about 0.1 V vs. Li+/Li which is electrochemically reversible, and may be attributed to the intercalation/deintercalation of lithium ions while the other, at about 0.6 V vs. Li+/Li, is electrochemically irreversible and may be assigned to the decomposition of the electrolyte solvent, which leads to formation of the passive film on the anode surface. The experimental results strongly suggest that the pretreatment temperature of cokes and of the solvent are determining factors for the growth, structure and properties of the passive film.

Carbon materials for lithium ion batteries

The preliminary work indicated that passive film is the most important factor influencing cell performance of carbon anode, and the carbon and solvent used govern cell performance by forming the passive film of different properties. A in situ XRD result is also presented.

Magnetic and electric properties of Bi(La)Sr(Ca)Mn2O6

Bi1-xLaxSrMn2O6 and BiSr1-xCaxMn2O6 are prepared by solid state reaction. They are n-type semiconductors with ferromagnetism at room temperture. When Bi is substituted partly by rare earth, a negative magnetoresistance effect is observed in the pellet of Bi1-xLaxSrMn2O6. There are semiconductor-metal transitions at 820 K in BiSrMn2O6. The transitions are attributed to the magnetic transition at high temperature. The substitution of Ca for Sr makes the transition temperature increase. However, when Bi is partly substituted by La, the solid solution does not change into metal. (C) 1996 Academic Press, Inc.

The effect of some factors on the electric properties of rare earth complex oxide

The rare earth complex oxides with different types have been synthesized. Their structures and electric properties have been investigated. According to our experimental results, the effects of the outest shell electronic configuration, electron spin state, electron transport path and formation of cluster on the electric properties of rare earth complex oxides have been summarized. When the electrons in the outest shell of the central metallic ion are unpair, and the outest shell is not half-filled, the electric conductibilities of these compounds are better, If there is a -M-X-M-X- or -M-M-M- (the distances between two atoms <0.31 nm) continuous electron transport path, and the electron configurations of the central metallic ion conform to the above condition, then the electric conductibilities are good, The isolate cluster can not become the continuous electron transport path, therefore, the formation of the isolate cluster will reduce the conductibility.