Beilstein J. Nanotechnol.2014,5, 413–418, doi:10.3762/bjnano.5.49
theory (DFT); heterofullerene; Introduction
The continuous dependence on fossil fuel combustion for the generation of energy has dramatically increased the atmospheric CO2 concentrations over the last century. Despite concerns for global climatic changes and many attempts to sustainably generate energy
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Figure 1:
Sites for CO2 adsorption on BC59. The B and C atoms of HH B–C and HP B–C sites are represented as ‘...