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Updated: Feb 14, 2026

Processing of Bulk Nanocrystalline Metals at the US Army Research Laboratory
Published on: March 7, 2018
Bulk and surface properties of metal carbides: implications for catalysis
Matthew G Quesne1, Alberto Roldan, Nora H de Leeuw
1School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff, CF10 3AT, UK. quesnem@cardiff.ac.uk.
Abstract:
We present a comprehensive study of the bulk and surface properties of transition metal carbides with rock salt structures and discuss their formation energies and electronic structures. The bonding character of the materials is shown to be dependent on the periodic position of the transition metal as well as the surface termination, which in turn tunes the densities of states and electronic surface properties. Specific focus is given to the possible catalytic implications of the surface properties on CO2 hydrogenation.
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