Structures, stabilities and electronic properties of TimSi−n (m = 1‒2, n = 14‒20) clusters: a combined ab initio and experimental study
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DOI: 10.1140/epjp/s13360-020-00745-6
Abstract: Titanium-doped silicon clusters anions, TimSi− (m = 1‒2, n = 14‒20), have been investigated by photoelectron spectroscopy and density functional theory (DFT) calculations. Low-energy structures of TimSi− clusters have been globally searched using a genetic algorithm combined with DFT… read more here.
Keywords: properties timsi; timsi clusters; clusters combined; electronic properties ... See more keywords