This paper provides a comprehensive overview on the design and modification of carbon cloth as advanced electrodes for high-performance supercapacitor assembly.
1 January 2009 in Physical Chemistry Chemical Physics
The prediction and characterization of the single-electron sodium bond complexes Y–CNa–H [Y = H3, H3CH2, (H3C)2H and (H3C)3] have been investigated for the first time by using MP2/6-311++G(d,p), MP2/6-311++G(2d,2p) and MP2/aug-cc-pVDZ methods. The strength of the interactions in H3CNa–H, H3CH2CNa–H, (H3C)2HCNa–H, and (H3C)3CNa–H complexes has been analyzed. It is shown that the (H3C)3C radical with Na–H forms the strongest single-electron sodium bond, followed by the (H3C)2HC radical and then the H3CH2C radical. H3C radical forms the weakest single-electron sodium bond. NBO and AIM analyses have also been used to estimate such conclusions. Furthermore, there are few linear/nonlinear relationships among the several parameters in system and the interaction mode of single-electron Na bond is LP1(C) → LP1*(Na), which is different from the single-electron H bond and single electron halogen bond. By comparisons with some related systems, it is concluded that the strength of single-electron bond is increased in the order: hydrogen bond < sodium bond < bromine bond < lithium bond.