Relevance of defects in ZnO nanotubes for selective adsorption of H2S and CO2 gas molecules: Ab-initio investigation
The adsorption of CO2 and H2S gas molecules on pristine and defected ZnO nanotubes (ZnO-NTs) is theoretically investigated using the density-functional theory (DFT). The interactions of each molecule with various sites on the pristine and defected ZnO-NT, with oxygen vacancy “VO” and zinc vacancy “V...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2020-03-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S221137971932950X |