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

6533b857fe1ef96bd12b40ca

RESEARCH PRODUCT

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

D. Santamaría-pérez D. Daisenberger J. Ruiz-fuertes T. Marqueño R. Chulia-jordan C. Muehle M. Jansen P. Rodriguez-hernandez A. Muñoz Erin R. Johnson A. Otero-de-la-roza

subject

Chemistry

description

Cubic cuprite-type gold(i) sulfide presents unique chemical bonding, which makes it unmodelable using current DFT methods, and a computational challenge.

year	journal	country	edition	language
2019-05-01	Chemical Science

10.1039/c9sc00371a http://europepmc.org/articles/PMC6610519

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