Applications of density functional theory for modeling metal-semiconductor contacts, reaction pathways, and calculating oxidation states
Abstract Density functional theory (DFT) is a well-established tool for calculating the properties of materials. The volume of DFT-related publications doubles every 5–6 years, which has resulted in the appearance of continuously growing open material databases, containing information on millions o...
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| Format: | Doctoral Thesis |
| Language: | English |
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Oulun yliopisto
2018
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| Online Access: | http://urn.fi/urn:isbn:9789526221328 http://nbn-resolving.de/urn:isbn:9789526221328 |