ZnO Nanocrystal-Based Chloroform Detection: Density Functional Theory (DFT) Study
We investigated the detection of chloroform (CHCl<sub>3</sub>) using ZnO nanoclusters via density functional theory calculations. The effects of various concentrations of CHCl<sub>3</sub>, as well as the deposition of O atoms, on the adsorption over ZnO nanoclusters were anal...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-11-01
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| Series: | Coatings |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-6412/9/11/769 |