Quantitative X-ray Absorption and Emission Spectroscopies: Electronic Structure Elucidation of Cu₂S and CuS.

ABSTRACT: The electronic structures of Cu₂S and CuS have been under intense scrutiny, with the aim of understanding the relationship between their electronic structures and commercially important physical properties. Here, X-ray absorption and emission spectroscopic data have been analyzed using a quantitative, molecular orbital (MO) based approach to understand the electronic structure of these two complex systems. Cu₂S is shown to have a significant amount of Cu²⁺ sites and therefore Cu⁰ centers. The presence of low-valent Cu is correlated with the electrical conductivity of Cu₂S, especially at high temperatures. CuS is shown to have tetrahedral Cu²⁺ and trigonal Cu¹⁺ sites, with crystal planes that have alternating high

SUBMITTER: Kumar P 

PROVIDER: S-EPMC3683299 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature