Combined multiplet theory and experiment for the Fe 2p and 3p XPS of FeO and Fe2O3

Analysis of the Fe 2p XPS for hematite α Fe2O3: Consequences of covalent bonding and orbital splittings on multiplet splittings

(2020) Paul S. Bagus et al.   JOURNAL OF CHEMICAL PHYSICS

Covalency in Fe2O3 and FeO: Consequences for XPS satellite intensity

(2020) Paul S. Bagus et al.   JOURNAL OF CHEMICAL PHYSICS

Cluster embedding of ionic systems: Point charges and extended ions

(2019) Paul S. Bagus et al.   JOURNAL OF CHEMICAL PHYSICS

Approaching multiplet splitting in X-ray photoelectron spectra by density functional theory methods: NO and O2 molecules as examples

(2019) Carmen Sousa et al.   CHEMICAL PHYSICS LETTERS

Synthesis of 2D Hexagonal Hematite Nanosheets and the Crystal Growth Mechanism

(2019) Meirong Zong et al.   INORGANIC CHEMISTRY

Extracting Chemical Information from XPS Spectra: A Perspective

(2018) Paul S. Bagus et al.   CATALYSIS LETTERS

Consequences of realistic embedding for the L2,3 edge XAS of α-Fe2O3

(2018) Paul S. Bagus et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

XPS primary excitation spectra of Zn 2p , Fe 2p , and Ce 3d from ZnO, α-Fe2 O3 , and CeO2

(2018) Nicolas Pauly et al.   SURFACE AND INTERFACE ANALYSIS

Analysis of X-ray adsorption edges: L2,3 edge of FeCl4−

(2017) Paul S. Bagus et al.   JOURNAL OF CHEMICAL PHYSICS

Composition assessment of ferric oxide by accurate peak fitting of the Fe 2pphotoemission spectrum

(2016) M. Bravo Sanchez et al.   SURFACE AND INTERFACE ANALYSIS

Multiplet splitting for the XPS of heavy elements: Dependence on oxidation state

(2016) Paul S. Bagus et al.   SURFACE SCIENCE

Intermediate coupling for core-level excited states: Consequences for X-Ray absorption spectroscopy

(2015) Paul S. Bagus et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Covalent interactions in oxides

(2013) Paul S. Bagus et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

The interpretation of XPS spectra: Insights into materials properties

(2013) Paul S. Bagus et al.   SURFACE SCIENCE REPORTS

Analysis of the Broadening of X-ray Photoelectron Spectroscopy Peaks for Ionic Crystals

(2011) Connie J. Nelin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Relativistic Hamiltonians for Chemistry: A Primer

(2011) Trond Saue   CHEMPHYSCHEM

Evaluation of uncertainties in X-ray photoelectron spectroscopy intensities associated with different methods and procedures for background subtraction. I. Spectra for monochromatic Al X-ray

(2009) C. J. Powell et al.   SURFACE AND INTERFACE ANALYSIS

Atomic near-degeneracy for photoemission: Generality of 4f excitations

(2008) Paul S. Bagus et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Analysis of XPS spectra of Fe2+ and Fe3+ ions in oxide materials

(2007) Toru Yamashita et al.   APPLIED SURFACE SCIENCE