Simulations show size-dependent electronic transitions in HgTe nanoclusters and that neutral ligands eliminate surface-derived localized states via coordination restoration and hybridization.
Hybrid Functionals Based on a Screened Coulomb Potential
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First-Principles Insights into Surface and Ligand Effects in Stoichiometric HgTe Quantum Dots
Simulations show size-dependent electronic transitions in HgTe nanoclusters and that neutral ligands eliminate surface-derived localized states via coordination restoration and hybridization.