“…The cyano and hydrocyano C 60 fullerenes that were first synthesized by Wudl et al [4,5] have attracted a great deal of attention as components of proton exchange membrane fuel cells [6,7] due to their high proton conductivity. Those authors elaborated a multistep route for producing polyhydrocyanofullerenes from C 60 up to C 60 H(CN) 5 that can be evidently expanded to produce higher members of the family according to the following series ("Series 1"):…”
Section: On the Grounds Of Computational Methodologymentioning
The cyanation of C(60) to C(60)(CN)(18) and the aziridination of C(60) to C(60)(NH)(9) were studied by an unrestricted broken spin symmetry Hartree-Fock approach implemented in semiempirical codes based on the AM1 technique. The calculations focused on the successive addition of CN and NH moieties to the fullerene cage following the identification of the target cage atoms as those with the highest atomic chemical susceptibilities calculated at each step. The results obtained were analyzed from the viewpoint of the parallelism between these derivatives as well as C(60) fluorides and hydrides. The difference between the first-stage C(60) chlorination and other sterically free processes is discussed.
“…The cyano and hydrocyano C 60 fullerenes that were first synthesized by Wudl et al [4,5] have attracted a great deal of attention as components of proton exchange membrane fuel cells [6,7] due to their high proton conductivity. Those authors elaborated a multistep route for producing polyhydrocyanofullerenes from C 60 up to C 60 H(CN) 5 that can be evidently expanded to produce higher members of the family according to the following series ("Series 1"):…”
Section: On the Grounds Of Computational Methodologymentioning
The cyanation of C(60) to C(60)(CN)(18) and the aziridination of C(60) to C(60)(NH)(9) were studied by an unrestricted broken spin symmetry Hartree-Fock approach implemented in semiempirical codes based on the AM1 technique. The calculations focused on the successive addition of CN and NH moieties to the fullerene cage following the identification of the target cage atoms as those with the highest atomic chemical susceptibilities calculated at each step. The results obtained were analyzed from the viewpoint of the parallelism between these derivatives as well as C(60) fluorides and hydrides. The difference between the first-stage C(60) chlorination and other sterically free processes is discussed.
“…Applications of C 60 and its derivatives range from material science [8] to nanomedicine, in this latter context acting such as Xray contrast agents [9], antioxidant drugs for neurodegenerative diseases [10], inhibitors of the allergic response [11] and targets for bone tissue [12]. Despite the large variety of uses of fullerene and its increasing worldwide production [13,14] little is known about possible biological negative effects.…”
“…Hengbin Wang et.al explored the composite membranes using functionalized fullerene as an additive in Nafion matrix and studied their effect on ionic conductivity. However functionalization routes followed were complex and real fuel cell polarization studies were not undertaken for these membranes [34]. Saga et al also developed sulfonated polystyrene-fullerene based composite membranes and observed improved oxidation resistance and reduced methanol crossover in DMFCs [35].…”
Section: Membrane Electrolyte Is An Important Component In Direct Metmentioning
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