Highlights with ‘NEXAFS’

XPS and NEXAFS study of an ambipolar phosphorescent host material for OLEDs

28 October 2020

The single channel DFT-KS approach with Transition Potential (TP) scheme1 (DFT-TP) is able to describe the K-shell NEXAFS spectra of light atoms by including most of the relaxation effects upon the core−hole formation. It provides a single set...

5f covalency in Americium hexachloride

6 July 2017

The Cl K-edge XAS of Americium(III) Hexachloride were simulated and analyzed based on spin-orbit DFT transition dipole moment method. Direct evidence of 5f and 3p orbital mixing in Am–Cl bond was observed. Combining experimental Cl K-edge XAS and theoretical simulation, the comparison between AmCl63-...