Kiran B, Jena P, Li X, Grubisic A, Stokes S T, Ganteför G F, Bowen K H, Burgert R, Schnöckel H
Physics Department, Virginia Commonwealth University, Richmond, Virginia 23284, USA.
Phys Rev Lett. 2007 Jun 22;98(25):256802. doi: 10.1103/PhysRevLett.98.256802. Epub 2007 Jun 20.
Using the electronic shell closure criteria, we propose a new electron counting rule that enables us to predict the size, composition, and structure of many hitherto unknown magic clusters consisting of hydrogen and aluminum atoms. This rule, whose validity is established through a synergy between first-principles calculations and anion-photoelectron spectroscopy experiments, provides a powerful basis for searching magic clusters consisting of hydrogen and simple metal atoms.
利用电子壳层闭合标准，我们提出了一种新的电子计数规则，该规则使我们能够预测许多由氢和铝原子组成的迄今未知的幻数团簇的大小、组成和结构。通过第一性原理计算和阴离子光电子能谱实验之间的协同作用确立了该规则的有效性，为寻找由氢和简单金属原子组成的幻数团簇提供了有力依据。
