Browsing Research Output by Author "Avdeenkov, Alexander V."
Now showing items 1-1 of 1
-
Hydrogen storage in aromatic carbon ring based molecular materials decorated with alkali or alkali-earth metals
Bodrenko, Igor V.; Avdeenkov, Alexander V.; Bessarabov, Dimitri G.; Bibikov, Anton V.; Nikolaev, Alexander V. (Journal of physical chemistry C, 2012)On the basis of first-principles calculations of molecular electron structure, we discuss the strategy of modifying the carbon-based materials in order to increase their capacity to bind with molecular hydrogen. In particular, ...