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RESEARCH PRODUCT

Ligand-Protected Gold Nanoclusters as Superatoms—Insights from Theory and Computations

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Abstract Gold clusters and nanoparticles, stabilized by various ligands, exhibit a rich array of interesting and important electronic, optical, chemical and catalytic properties. Many particles can now be synthesized by wet chemistry, and they can be handled as normal chemicals: stored, modified and functionalized for applications in medical therapy, biolabelling, sensing, nanoelectronics and catalysis. In recent years, understanding of the stability, surface chemistry and functionalization of these interesting building blocks of nano-matter has taken a quantum leap. This is facilitated by simultaneous breakthroughs in experimental and theoretical fronts concerning accurate structural determinations of thiolate-stabilized gold clusters of 1–3 nm in diameter, in conjunction with computational studies relating the stability and the electronic structure of the cluster via the so-called superatom concept. This chapter intends to offer a modest review of that rapid progress and an introduction for a novice wishing to enter this exciting field.