Theoretical and Experimental Study of the Electronic Structures of MoO3 and MoO2
The geometric and electronic structures of MoO3 and MoO 2 have been calculated using the generalized gradient approximation to density functional theory. The calculated cross-section weighted densities of states are compared with high-resolution X-ray photoemission spectra. There is very good agreem...
| Main Authors: | , , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2010
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