DFT investigation of pyramidal Au\(_{9}\)M\(^{2+}\) and Au\(_{19}\)M (M = Sc-Ni): Similarities and Differences of Structural Evolution, Electronic and Magnetic Properties
Abstract:Au102+ and Au20 pyramids, whose stability and inertness are comparable to those of carbon fullerene C60, are considered as important landmarks in the long-history investigation of gold nanoclusters. Numerous experimental and theoretical studies on doping Au102+ and Au20 with transition metal atoms have been carried out for specific properties that can be used as advanced materials in nanotechnology applications. In this work, we discussed the similarities and differences between the structural, stability, and … Show more
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