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Two-Dimensional Tetragonal GaN as Potential Molecule Sensors for NO and NO(2) Detection: A First-Principle Study
[Image: see text] Properties of gas molecules (NO, NH(3), and NO(2)) adsorbed on two-dimensional GaN with a tetragonal structure (T-GaN) are studied using first-principles methods. Adsorption energy, adsorption distance, Hirshfeld charge, electronic properties, electric conductivity, and recovery ti...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2017
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645710/ https://www.ncbi.nlm.nih.gov/pubmed/31457417 http://dx.doi.org/10.1021/acsomega.7b01586 |