Boron-carbon-nitrogen foam surfaces for thermal physisorption applications
نویسندگان
چکیده
Available online 6 November 2012
منابع مشابه
Influence of sumanene modifications with boron and nitrogen atoms to its hydrogen adsorption properties.
We investigate the influence of sumanene modifications on its adsorption properties towards the hydrogen molecule. The benzylic positions of sumanene were substituted with boron and nitrogen atoms, which changed its hydrogen storage properties. H2 binding energies were calculated using the LMP2, DFT and DFT-D3 approaches with several exchange-correlation functionals and the results indicate a p...
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