| Autor: |
Abdulsattar, Mudar Ahmed, Jabbar, Rashid Hashim, Fadhel, Husham M., Alkharkhe, Suaad Abbas |
| Předmět: |
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| Zdroj: |
Structural Chemistry; Feb2022, Vol. 33 Issue 1, p71-79, 9p |
| Abstrakt: |
The exposure of sensing material to environmental gases is an inevitable interaction that can affect its detection of changes in the environment. SnO2 clusters of pyramid shape are used theoretically to investigate such interaction. Oxygen deficiency of SnO2 clusters is proved according to Gibbs free energy of reaction that agrees with the experiment. Sn10O16 is the most stable cluster in comparison with other clusters such as Sn10O14, Sn10O18, and Sn10O20. Noble gases' (He, Ne, Ar, Kr, Xe, and Rn) and other inactive gases' (such as CO2 and N2) interactions with Sn10O16 via van der Waals forces are calculated. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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