By using the density functional theory calculations, two external fields, ligand field and the oriented external electric field (OEEF), were introduced to examine their capability in regulating electronic properties of the polymeric Nb₂N₂ cluster. The ligation strategy was observed to be able to dramatically lower the AIPs of the ligated Nb₂N₂ clusters forming superalkalis, while the OEEF was confirmed to have power in continuously and precisely modulating the EAs of Nb₂N₂ at will leading to the formation of superhalogens. These external fields are considered as novel strategies in superatom design, which may broaden the fundamental science of the superatom framework.

通过使用密度泛函理论计算，引入了两个外部场，即配体场和定向外部电场（OEEF），以检验它们调节聚合物Nb ₂ N ₂团簇电子性能的能力。观察到结扎策略能够显着降低形成超碱的结扎Nb ₂ N ₂团簇的AIP，而OEEF被证实可以随意连续且精确地调节Nb ₂ N ₂的EA，从而导致形成超级卤素。这些外部领域被认为是超原子设计中的新策略，这可能会拓宽超原子框架的基础科学。