Computes the modified tritium beta-decay spectrum in graphene by combining DFT interaction potentials with nuclear quantum mechanics calculations across different loadings and geometries.
Evaluating the performance of reaxff potentials for sp2 carbon systems (graphene, carbon nanotubes, fullerenes) and a new reaxff potential,
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The $\beta$-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory
Computes the modified tritium beta-decay spectrum in graphene by combining DFT interaction potentials with nuclear quantum mechanics calculations across different loadings and geometries.