Redesign of Carbon Materials for Novel Storage, Mechanical and Optical Properties
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ABSTRACTWe revisit the polymorphism of carbon along two directions. First, we discover novel polymorphs in the vicinity of graphite, with outstanding optical and mechanical properties. Using numerical methods and graph-theoretical tools, we find as many as 4 novel superhard and transparent polymorphs, with great technological potential. Second, scaling up a model of rod packing to carbon nanotube (CNT) scaffoldings, we discover that such complex assemblies of CNTs are outstanding adsorbers of hydrogen, capable of reaching the DOE target (~6.0 wt% at ambient conditions). Along this line, we highlight novel paradigms for revisiting carbon, in view of remarkable qualities and superior properties.
2019 ◽
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2019 ◽
2019 ◽
Vol 23
(2)
◽
pp. 188-204
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2011 ◽
Vol 46
(7)
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pp. 1143-1147
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Keyword(s):
Keyword(s):