Transition metal (TM) atoms bound to fullerenes are proposed as adsorbents for high density, room temperature, ambient pressure storage of hydrogen. ${\mathrm{C}}_{60}$ or ${\mathrm{C}}_{48}{\mathrm{B}}_{12}$ disperses TMs by charge transfer interactions to produce stable organometallic buckyballs (OBBs). A particular scandium OBB can bind as many as 11 hydrogen atoms per TM, ten of which are in the form of dihydrogen that can be adsorbed and desorbed reversibly. In this case, the calculated binding energy is about $0.3\mathrm{eV}/{\mathrm{H}}_2$, which is ideal for use on board vehicles. The theoretical maximum retrievable ${\mathrm{H}}_2$ storage density is $\sim 9\mathrm{wt}\%$.

We propose the great potential of single atom catalysts (SACs) for CO₂ electroreduction with high activity and selectivity predictions over a competitive H₂ evolution reaction. We find the lack of an atomic ensemble for adsorbate binding and unique electronic structure of the single atom catalysts play an important role.

We report the synthesis of a Fe-porphyrin-like carbon nanotube from conventional plasma-enhanced chemical vapor deposition. Covalent but seamless incorporation of the 5-6-5-6 porphyrinic $\mathrm{Fe}\mathrm{\text{−}}{\mathrm{N}}_4$ moiety into the graphene hexagonal side wall was elucidated by x-ray and ultraviolet photoemission spectroscopies and first-principles electronic structure calculations. The resulting biomimetic nanotube exhibits an excellent oxygen reduction catalytic activity with the extreme structural stability over $0.1\times {10}^6$ cycles, vastly superior to the commercial Pt-C catalyst.