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The interaction between surface-lying nitrogen-substituted fullerenes (radical azafullerene, $\mathrm{C_{59}⁢N^•}$) with subsurface negative nitrogen-vacancy complexes ($\mathrm{NV}^-$) in diamond is investigated using first-principles calculations. We consider (2×1) reconstructed (001) oriented dia ...

Organic molecular electronics and spintronics are based on the intrinsic quantum effects taking place at the single-molecule level. In particular at this scale, spin-active molecules can exhibit long spin relaxation times and serve as molecular qubits, and for quantum sensing, or spin valves. To eff ...

We investigate the effect of introducing C$_{60}$ to (C$_{59}$N)$_2$ and the molecular ring, [10]cycloparaphenylene ([10]CPP), using electron paramagnetic resonance (EPR) measurements supported by density functional theory (DFT) calculations. Incorporating C$_{60}$ into the system results in the for ...

A remarkable stability of a supramolecular radical comprising an azafullerene (C$_{59}$N$^•$) radical sterically protected by a [10]cycloparaphenylene ([10]CPP) nanoring, C$_{59}$N$^•$$\subset$[10]CPP, has recently been observed by various experimental probes. In order to investigate the host−guest ...