New Insights into the Structure of the C-Terminated beta-Mo2C (001) Surface from First-Principles Calculations

Title: New Insights into the Structure of the C-Terminated beta-Mo2C (001) Surface from First-Principles Calculations

Journal Article · Fri Aug 01 00:00:00 EDT 2014 · JOURNAL OF PHYSICAL CHEMISTRY C

DOI:https://doi.org/10.1021/jp505847g· OSTI ID:1160056

Rodriguez, J.; Roldan, Alberto; Ricart, Josep M.; Illas, Francesc; de Leeuw, Nora H.

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Research Organization:: Brookhaven National Lab. (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY