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Clusters: A bridge across the disciplines of physics and chemistry

机译:集群:跨越物理和化学学科的桥梁

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The properties of elements from atoms to bulk can be divided into two regimes: (ⅰ) a scalable regime where properties vary smoothly as some power law until they reach the bulk limit and (ⅱ) a nonscalable regime where the variation is highly nonmonotonic. In this latter region, characterized by clusters, unusual things can and often do arise because of quantum confinement and boundary effects. Clusters of nonmagnetic elements become magnetic, semiconducting materials exhibit metallic properties, metallic systems become semiconducting, the color of particles changes with size, noble metals become reactive, and brittle materials become malleable. These properties arise because of the unusual structure of the clusters and because the electrons belong to molecular orbitals and exhibit an energy gap, referred to as the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap.
机译:从原子到本体的元素的属性可以分为两种状态:(ⅰ)可伸缩的状态,其中某些特性随幂律平稳变化直至达到体积极限;(ⅱ)不可伸缩的状态,其变化高度非单调。在后一个以团簇为特征的区域中,由于量子限制和边界效应,通常会发生不寻常的事情。非磁性元素簇变成磁性,半导体材料表现出金属特性,金属系统变成半导体,颗粒的颜色随尺寸而变化,贵金属变成反应性,而脆性材料变得可延展。这些性质的出现是由于团簇的不寻常结构以及电子属于分子轨道并显示出能隙,被称为最高占据分子轨道-最低未占据分子轨道(HOMO-LUMO)间隙。

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