Gold(i) sulfide: unusual bonding and an unexpected computational challenge in a simple solid††Electronic supplementary information (ESI) available: Analysis of the pressure-induced amorphization in Au2S and calculated band structure. See DOI: 10.1039/c9sc00371a
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DOI: 10.1039/c9sc00371a
Abstract: Cubic cuprite-type gold(i) sulfide presents unique chemical bonding, which makes it unmodelable using current DFT methods, and a computational challenge. read more here.
Keywords: bonding; gold sulfide; sulfide unusual; computational challenge ... See more keywords