Chemical vapour deposition of molybdenum carbides: aspects of phase stability

Lu, JDepartment of Inorganic Chemistry, Ångström Laboratory, University of Uppsala, Box 538, S-751 21 Uppsala, Sweden (författare)

Thin films of different molybdenum carbides (δ-MoC1−x, γ′-MoC1−x and Mo2C) have been deposited from a gas mixture of MoCl5/H2/C2H4 at 800°C by CVD. The H2 content in the vapour has a strong influence on the phase composition and microstructure. Typically, high H2 contents lead to the formation of nanocrystalline δ-MoC1−x films while coarse-grained γ′-MoC1−x is formed with an H2-free gas mixture. This phase has previously only been synthesized by carburization of Mo in a CO atmosphere and it has therefore been considered as an oxycarbide phase stabilized by the presence of oxygen in the lattice. Our results, however, show that γ′-MoC1−x films containing only trace amounts of oxygen can be deposited by CVD. Stability calculations using a FP-LMTO method confirmed that the γ′-MoC1−x phase is stabilized by oxygen but that the difference in energy between e.g. δ-MoC0.75 and oxygen-free γ′-MoC0.75 is small enough to allow the synthesis of the latter phase in the absence of kinetic constraints. Annealing experiments of metastable δ-MoC1−x and γ′-MoC1−x films showed two different reaction products suggesting that kinetic effects play an important role in the decomposition of these phases.

Hugosson, Håkan Wilhelm,1972-Condensed Matter Theory Group, Department of Physics, University of Uppsala, Box 530, S-751 21, Uppsala, Sweden(Swepub:hig)hanhun (författare)
Eriksson, OCondensed Matter Theory Group, Department of Physics, University of Uppsala, Box 530, S-751 21, Uppsala, Sweden (författare)
Nordström, LCondensed Matter Theory Group, Department of Physics, University of Uppsala, Box 530, S-751 21, Uppsala, Sweden (författare)
Jansson, UDepartment of Inorganic Chemistry, Ångström Laboratory, University of Uppsala, Box 538, S-751 21 Uppsala, Sweden (författare)
Department of Inorganic Chemistry, Ångström Laboratory, University of Uppsala, Box 538, S-751 21 Uppsala, SwedenCondensed Matter Theory Group, Department of Physics, University of Uppsala, Box 530, S-751 21, Uppsala, Sweden (creator_code:org_t)

Av författaren/redakt...: Lu, J; Hugosson, Håkan ...; Eriksson, O; Nordström, L; Jansson, U

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