| Autor: |
Saleh, Noor Al-Huda, Abduljalil, Hayder M., Abdoon, Rabab Saadoon |
| Předmět: |
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| Zdroj: |
AIP Conference Proceedings; 2023, Vol. 2414 Issue 1, p1-8, 8p |
| Abstrakt: |
In this work Density Function Theory (DFT) used to estimate ground state proprieties for the pure and sulfur doped graphene. Properties under study are structure and electronic properties, adsorption energy and sensitivity. Toxic gases used in present study are ammonia(NH3) and bromine(Br2). Pure and doped nano-ribbons were checked their ability to sense toxic gases. From the result pure graphene bromine gas was more active than ammonia molecule during surface interaction. Doped mechanism used to modify strength of adsorption. In general, doped process modified adsorption energy for two gases, this clear in ammonia gas molecule, and continuous increasing in bromine interaction. Finally doped nano-ribbons was more sensitive for gas molecule under study. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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