Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 44, Issue 5, Pages 3115-3120Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ijhydene.2018.11.233
Keywords
Solid oxide fuel cell; WC (0001); H-2 dissociation; Sulfur tolerance
Categories
Funding
- National Natural Science Foundation of China [11474086, 11704100]
- Doctoral Scientific Research Foundation of Henan Normal University [5101029170295]
- High Performance Computing Center of Henan Normal University
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H-2 dissociation barriers on Ag (111), Ag monolayer on WC (0001) (Ag-ML/WC), Ag monolayer doped by Pt atom on WC (0001) (AgMLPt-d/WC) surface are decreasing from 1.07 to 0.03 eV. The ab initio atomistic thermodynamic data shows that at typical planar SOFC operating temperatures of 923-1073 K, under 100000-ppm pH(2)S/pH(2), AgMLPt-d/WC can be sulfur free clean surface. Therefore, compared with traditional NickeVYttria-stabilized zirconia (Ni/YSZ) Solid Oxide Fuel Cells (SOFCs) anode, AgMLPt-d/WC shows high activity towards H-2 dissociation and high tolerance of sulfur poisoning. (C) 2018 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
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