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What is Sensing PH3 with Armchair BN Nanoribbons about?
The document summarizes a first-principles investigation of armchair boron nitride nanoribbons (ABNNR) for sensing PH3 gas molecules using density functional theory calculations. It was revealed that B atoms of the ribbons are more favorable sites for PH3 adsorption compared to N atoms. Adsorption of PH3 at one edge of the ribbon makes it metallic, while adsorption at both edges decreases the band gap. Current-voltage characteristics further support the changes in electronic properties caused by PH3 adsorpt
- Author
- Tejas Bhalerao
- Language
- EN