Dissociation of water on Ti-decorated fullerene clusters
Spin-polarized density functional theory calculations have been applied to investigate water dissociation catalyzed by Ti adsorbed on icosahedral C20, C60 and C80 fullerene clusters, in order to elucidate the roles that cluster size and Ti-cluster interaction play in the proposed hydrogen generation...
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2012-03-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.3693991 |