Density Functional Theory Study of Sulfur Poisoning on Nickel Anode in Solid Oxide Fuel Cells: Effects of Surface and Subsurface Sulfur Atoms
Author:
Affiliation:
1. INAMORI Frontier Research Center, Kyushu University
2. International Institute for Carbon-Neutral Research, Kyushu University
Publisher
Society of Chemical Engineers, Japan
Subject
General Chemical Engineering,General Chemistry
Link
https://www.jstage.jst.go.jp/article/jcej/47/11/47_12we249/_pdf
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3. Alfonso, D. R.; “First-Principles Studies of H2S Adsorption and Dissociation on Metal Surfaces,” Surf. Sci., 602, 2758–2768 (2008)
4. Blaylock, D. W., T. Ogura, W. H. Green and G. J. O. Beran; “Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni(111) under Realistic Conditions,” J. Phys. Chem. C, 113, 4898–4908 (2009)
5. Braun, A., M. Janousch, J. Sfeir, J. Kiviaho, M. Noponen, F. E. Huggins, M. J. Smith, R. Steinberger-Wilckens, P. Holtappels and T. Graule; “Molecular Speciation of Sulfur in Solid Oxide Fuel Cell Anodes with X-Ray Absorption Spectroscopy,” J. Power Sources, 183, 564–570 (2008)
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