A polyoxovanadate as an advanced electrode material for supercapacitors.

Polyoxovanadate Na(6)V(10)O(28) is investigated for the first time as electrode material for supercapacitors (SCs). The electrochemical properties of Na(6)V(10)O(28) electrodes are studied in Li(+) -containing organic electrolyte (1 M LiClO(4) in propylene carbonate) by galvanostatic charge/discharge and cyclic voltammetry in a three-electrode configuration. Na(6)V(10)O(28) electrodes exhibit high specific capacitances of up to 354 F g(-1). An asymmetric SC with activated carbon as positive electrode and Na(6)V(10)O(28) as negative electrode is fabricated and exhibits a high energy density of 73 Wh kg(-1) with a power density of 312 W kg(-1), which successfully demonstrates that Na(6)V(10)O(28) is a promising electrode material for high-energy SC applications.

Flexible single-walled carbon nanotube/polycellulose papers for lithium-ion batteries.

Flexible and highly conductive single-walled carbon nanotube/polycellulose papers (SWCNT/PPs) were developed as current collectors for lithium-ion batteries by a simple and scalable process. The flexible electrodes based on SWCNT/PP conductors consisted of a unique three-dimensional interwoven structure of electrode materials and cellulose fibers with CNTs and exhibited flexibility, good electrochemical performance and excellent cyclic stability. Full cells using Li(4)Ti(5)O(12) and LiFePO(4) electrodes based on SWCNT/PPs showed a first discharge capacity of 153.5 mA h g(-1) with Coulombic efficiencies of 90.6% at 0.1 C and discharge capacity of 102.6 mA h g(-1) at high rate (10 C). Full cells based SWCNT/PP conductors showed higher capacities and lower electrochemical interfacial resistance compared to metallic current collectors. Half cells using anatase TiO(2) hierarchical spheres based on SWCNT/PP conductors also exhibited outstanding electrochemical performance, verifying the stability of SWCNT/PP conductors to various electrode materials. Our results demonstrated the potential versatility of composite electrodes and conductive SWCNT/PPs for flexible and portable micropower devices.

Substituent Effects on the C-H Bond Dissociation Energy of Toluene. A Density Functional Study.

The bond dissociation energies of the benzylic C-H bond of a series of 16 para-substituted toluene compounds (p-X-C(6)H(4)CH(3)) have been calculated with the density functional method (BLYP/6-31G). The calculated substituent effects correlate well with experimental rates of dimerization of para-substituted alpha,beta,beta-trifluorostyrenes and rearrangement of methylenearylcyclopropanes. Both electron-donating and electron-withdrawing groups reduce the bond dissociation energy (BDE) of the benzylic C-H bond because both groups cause spin delocalization from the benzylic radical center. The calculated spin density variations at the benzylic radical centers correlate well with both the ESR hyperfine coupling constants determined by Arnold et al. and the calculated radical effects of the substituents. The relative radical stabilities are mainly determined by the spin delocalization effect of the substituents, and polar effect of the substituents are not important in the current situation. The ground state effect is also found to influence the C-H BDE.