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Title: Consequences of realistic embedding for the L 2,3 edge XAS of α-Fe 2 O 3

Abstract

Cluster models of condensed systems are often used to simulate the core-level spectra obtained with X-ray Photoelectron Spectroscopy, XPS, or with X-ray Absorption Spectroscopy, XAS, especially for near edge features.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [3]
  1. Department of Chemistry; University of North Texas; Denton; USA
  2. Consultant; Austin; USA
  3. Pacific Northwest National Laboratory; Richland; USA
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1422269
Report Number(s):
PNNL-SA-131666
Journal ID: ISSN 1463-9076; PPCPFQ; 47824; KC0302060
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 20; Journal Issue: 6
Country of Publication:
United States
Language:
English
Subject:
Environmental Molecular Sciences Laboratory

Citation Formats

Bagus, Paul S., Nelin, Connie J., Sassi, Michel, Ilton, Eugene S., and Rosso, Kevin M.. Consequences of realistic embedding for the L 2,3 edge XAS of α-Fe 2 O 3. United States: N. p., 2018. Web. doi:10.1039/c7cp06926j.
Bagus, Paul S., Nelin, Connie J., Sassi, Michel, Ilton, Eugene S., & Rosso, Kevin M.. Consequences of realistic embedding for the L 2,3 edge XAS of α-Fe 2 O 3. United States. doi:10.1039/c7cp06926j.
Bagus, Paul S., Nelin, Connie J., Sassi, Michel, Ilton, Eugene S., and Rosso, Kevin M.. Mon . "Consequences of realistic embedding for the L 2,3 edge XAS of α-Fe 2 O 3". United States. doi:10.1039/c7cp06926j.
@article{osti_1422269,
title = {Consequences of realistic embedding for the L 2,3 edge XAS of α-Fe 2 O 3},
author = {Bagus, Paul S. and Nelin, Connie J. and Sassi, Michel and Ilton, Eugene S. and Rosso, Kevin M.},
abstractNote = {Cluster models of condensed systems are often used to simulate the core-level spectra obtained with X-ray Photoelectron Spectroscopy, XPS, or with X-ray Absorption Spectroscopy, XAS, especially for near edge features.},
doi = {10.1039/c7cp06926j},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 6,
volume = 20,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2018},
month = {Mon Jan 01 00:00:00 EST 2018}
}