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Chemistry

D-Index
88
Citations
25188
World Ranking
2316
National Ranking
826

Overview

Paul S. Bagus is affiliated with the University of North Texas in the United States. Their research primarily focuses on materials science and physics and astronomy, with notable contributions across subfields such as materials chemistry, surfaces, coatings and films, radiation, renewable energy, sustainability and the environment, and computational mechanics.

The scientist's work extensively covers electron and X-ray spectroscopy techniques, including X-ray spectroscopy and fluorescence analysis. Other significant topics in their research include iron oxide chemistry and applications, X-ray diffraction in crystallography, catalytic processes in materials science, ion-surface interactions and analysis, and ammonia synthesis and nitrogen reduction.

Paul S. Bagus has published multiple papers with a concentration on chemical physics and surface science. Recent selected publications include:

  • Combined multiplet theory and experiment for the Fe 2p and 3p XPS of FeO and Fe2O3, 2021, The Journal of Chemical Physics
  • Analysis of the Fe 2p XPS for hematite α Fe2O3: Consequences of covalent bonding and orbital splittings on multiplet splittings, 2020, The Journal of Chemical Physics
  • Accuracy limitations for composition analysis by XPS using relative peak intensities: LiF as an example, 2020, Journal of Vacuum Science & Technology A Vacuum Surfaces and Films
  • Covalency in Fe2O3 and FeO: Consequences for XPS satellite intensity, 2020, The Journal of Chemical Physics
  • Shake loss intensities in x-ray photoelectron spectroscopy: Theory, experiment, and atomic composition accuracy for MgO and related compounds, 2021, Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

The frequent publication venues for Paul S. Bagus are:

  • The Journal of Chemical Physics
  • Journal of Vacuum Science & Technology A Vacuum Surfaces and Films
  • Inorganic Chemistry
  • Journal of Electron Spectroscopy and Related Phenomena
  • SSRN Electronic Journal

Collaborations are a significant aspect of their research, with several frequent co-authors including Connie J. Nelin, C. R. Brundle, B. Vincent Crist, Nabajit Lahiri, and Kevin M. Rosso. These partnerships indicate ongoing contributions to the fields of electron spectroscopy and surface science.

Best Publications

  • Simple model for thin ferromagnetic films exchange coupled to an antiferromagnetic substrate

    D. Mauri;H. C. Siegmann;P. S. Bagus;E. Kay

  • Self-Consistent-Field Wave Functions for Hole States of Some Ne-Like and Ar-Like Ions

    P. S. Bagus

  • A new analysis of charge transfer and polarization for ligand–metal bonding: Model studies of Al4CO and Al4NH3

    Paul S. Bagus;K. Hermann;Charles W. Bauschlicher

  • Size effects in electronic and catalytic properties of unsupported palladium nanoparticles in electrooxidation of formic acid.

    Wei Ping Zhou;Adam Lewera;Robert Larsen;Rich I. Masel

  • The interpretation of XPS spectra: Insights into materials properties

    Paul S. Bagus;Eugene S. Ilton;Constance J. Nelin

  • Exchangelike Effects for Closed-Shell Adsorbates: Interface Dipole and Work Function

    Paul S. Bagus;Volker Staemmler;Christof Wöll

  • On the nature of the bonding of lone pair ligands to a transition metal

    Paul S. Bagus;Klaus Hermann;Charles W. Bauschlicher

  • Localized and Delocalized 1s Hole States of the O 2 + Molecular Ion

    Paul S. Bagus;Henry F. Schaefer

  • Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding

    Paul S Bagus;Francesc Illas;Gianfranco Pacchioni;Fulvio Parmigiani

  • Multiplet splitting of core-electron binding energies in transition-metal ions

    C. S. Fadley;D. A. Shirley;A. J. Freeman;P. S. Bagus

  • Prediction of New Multiplet Structure in Photoemission Experiments

    P. S. Bagus;A. J. Freeman;A. J. Freeman;F. Sasaki

  • Vacuum level alignment at organic/metal junctions: “Cushion” effect and the interface dipole

    Gregor Witte;Simon Lukas;Paul S. Bagus;Christof Wöll

  • Size dependence of surface cluster models: CO adsorbed on Cu(100)

    Klaus Hermann;Paul S. Bagus;Constance J. Nelin

  • ATOMIC SELF-CONSISTENT FIELD CALCULATIONS BY THE EXPANSION METHOD

    C C J Roothaan;P S Bagus

  • Structure and energetics of simple carbenes methylene, fluoromethylene, chloromethylene, bromomethylene, difluoromethylene, and dichloromethylene

    Charles W. Bauschlicher;Henry F. Schaefer;Paul S. Bagus

  • Cluster Models for Surface and Bulk Phenomena

    G. Pacchioni;Paul S. Bagus;Fulvio Parmigiani

  • Bonding of CO to metal surfaces: A new interpretation

    Paul S. Bagus;Constance J. Nelin;Charles W. Bauschlicher

  • Spectroscopic Evidence for Ag(III) in Highly Oxidized Silver Films by X-ray Photoelectron Spectroscopy

    Tiffany C. Kaspar;Timothy C. Droubay;Scott A. Chambers;Paul S. Bagus

  • XPS determination of uranium oxidation states

    Eugene S. Ilton;Paul S. Bagus

  • Cluster Core-Level Binding-Energy Shifts: The Role of Lattice Strain

    Bodo Richter;Helmut Kuhlenbeck;Hans-Joachim Freund;Paul S. Bagus

  • The metal-carbonyl bond in Ni(CO) 4 and Fe(CO) 5 : A clear-cut analysis

    Charles W. Bauschlicher;Paul S. Bagus

  • Molecular orbital cluster model study of bonding and vibrations of CO adsorbed on MgO surface

    Gianfranco Pacchioni;Giuseppe Cogliandro;Paul S. Bagus

Frequent Co-Authors

Gianfranco Pacchioni
Gianfranco Pacchioni University of Milano-Bicocca
Francesc Illas
Francesc Illas University of Barcelona
Henry F. Schaefer
Henry F. Schaefer University of Georgia
Hans-Joachim Freund
Hans-Joachim Freund Fritz Haber Institute of the Max Planck Society
Michael R. Philpott
Michael R. Philpott Tohoku University
Andrzej Wieckowski
Andrzej Wieckowski University of Illinois at Urbana-Champaign
Charles W. Bauschlicher
Charles W. Bauschlicher Ames Research Center
Inder P. Batra
Inder P. Batra University of Illinois at Chicago
Christof Wöll
Christof Wöll Karlsruhe Institute of Technology
Phaedon Avouris
Phaedon Avouris IBM (United States)

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