RT Journal Article
T1 NEXAFS experiment and multiple scattering calculations on KO_2: effects on the π  resonance in the solid phase
A1 Pedio, M.
A1 Wu, Z. Y.
A1 Benfatto, M.
A1 Mascaraque Susunaga, Arantzazu
A1 Michel, E.
A1 Ottaviani, C.
A1 Crotti, C.
A1 Peloi, M.
A1 Zacchigna, M.
A1 Comicioli, C.
AB The high-energy resolution O K-edge absorption near-edge x-ray absorption fine structure spectrum has been measured for in situ prepared potassium superoxide. The experimental data have been analyzed in detail by multiple scattering calculations using self-consistent field potentials. In particular, the so-called π resonance at the rising edge, which presents a double-peak structure, has been totally resolved and reproduced by the calculations. This analysis indicates that the grown material is arranged in a KO_2 structure with an O-O distance between 1.31 and 1.34 Angstrom. Moreover, the calculation demonstrates both a complete ionic character of the bound between the Oˆ(2-) anion and K atoms and a strong interaction between the anion and solid-state matrices.
PB American Physical Society
SN 0163-1829
YR 2002
FD 2002-10-01
LK https://hdl.handle.net/20.500.14352/59404
UL https://hdl.handle.net/20.500.14352/59404
LA eng
NO © 2002 The American Physical Society.One of the authors (Z.Y.W.) acknowledges the financial support of the 100-Talent Research Program of the Chinese Academy of Sciences and of the Outstanding Youth Fund (No. 10125523) of the National Natural Science Foundation of China.
NO 100-Talent Research Program of the Chinese Academy of Sciences
NO National Natural Science Foundation of China
DS Docta Complutense
RD 6 abr 2025