Phthalocyanine-Carbon Nanotube Hybrid Materials: Mechanism of Sensor Response to Ammonia from Quantum-Chemical Point of View
Quantum chemical calculations of the geometric and electronic structure of periodic hybrid compounds representing carbon nanotubes (10,0) with zinc phthalocyanine molecules ZnPc-<i>x</i>py (x = 0, 1, 2, 4) on their surface and their interaction with ammonia were carried out to explain th...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-11-01
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| Series: | Chemosensors |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2227-9040/10/11/479 |