First-Principles Investigation of Adsorbate–Adsorbate Interactions on Ni(111), Ni(211), and Ni(100) Surfaces
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DOI: 10.1021/acs.iecr.7b00447
Abstract: Periodic density functional theory calculations were employed to investigate the coadsorption patterns between CO and key water gas shift reaction (WGSR) intermediates, i.e., H2O, H, OH, O, and COOH, on Ni(111), Ni(100), and Ni(211) single-crystal… read more here.
Keywords: adsorbate adsorbate; investigation adsorbate; chemistry; investigation ... See more keywords