Naslov
Chemical speciation of third-row elements via valence-to-core x-ray emission spectroscopy

Autori
Petric, Marko ; Buar, Klemen ; Žitnik, Matjaž ; Kavčič, Matjaž

Vrsta, podvrsta i kategorija rada
Radovi u zbornicima skupova, cjeloviti rad (in extenso), znanstveni

Izvornik
Proceedings of the 8th Jožef Stefan International Postgraduate School Students’ Conference / Pavlin, Majda ; Vidmar, Janja - Ljubljana : Mednarodna podiplomska šola Jožefa Stefana, Ljubljana, 2016, 260-272

ISBN
978-961-94034-0-2

Skup
8th Jožef Stefan International Postgraduate School Students' Conference

Mjesto i datum
Ljubljana, Slovenija, 31.05.2016. - 01.06.2016

Vrsta sudjelovanja
Poster

Vrsta recenzije
Domaća recenzija

Ključne riječi
high resolution x-ray emission spectroscopy (XES), chemical speciation of phosphorus, sulfur and chlorine

Sažetak
An experimental and theoretical study of electronic structure of the third-row elements based on high resolution x-ray emission spectroscopy was performed. The measured spectra are compared to the results of first-principle calculations based on the density functional theory (DFT). The agreement between the measured and calculated Kβ emission spectra permits to discus valence orbitals in terms of molecular orbital (MO) theory. The Kβ spectral shape of the XO4n- ions (X=P, S, or Cl) is explained in detail. Finally, the possibility of valence-to-core x-ray emission spectroscopy to address polysulfide formation within the cathode of the Li-S battery during the battery cycle is discussed

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA