Adsorption of H2S molecule on TiO2/Au nanocomposites: A density functional theory study
The adsorption of hydrogen sulfide molecule on undoped and N-doped TiO2/Au nanocomposites was investigated by density functional theory (DFT) calculations. The results showed that the adsorption energies of H2S on the nanocomposites follow the order of 2N doped (Ti site)>N-doped (Ti site)>Undo...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Chemical Society
2017-01-01
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| Series: | Nanochemistry Research |
| Subjects: | |
| Online Access: | http://www.nanochemres.org/article_41808_08403406beacc1b3e5e1c414366cb145.pdf |