Defeitos FeN4 em nanoestruturas de carbono:: um estudo comparativo com as moléculas Fe-porfirina e Fe-ftalocianina
=== In this dissertation we conducted a comparitive study between the Fe-porphyrin and Fe-phthalocyanine molecules and carbon nanostructures with FeN4 defects using first-principles calculations based on the Density Functional Theory. For all systems, we performed calculations varying the total cha...
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| Format: | Others |
| Language: | Portuguese |
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Universidade Federal de Minas Gerais
2010
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| Online Access: | http://hdl.handle.net/1843/IACO-84RTBW |