Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors

Experimental work has already demonstrated that Al-doped ZnO nanostructures exhibit a higher response than the pure ZnO sample to CO gas and can detect it at sub-ppm concentrations. In this work, using density functional theory calculations (at B3LYP, M06-L, and B97D levels), we studied the effect o...

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Veröffentlicht in:	Journal of physical chemistry. C 2015-03, Vol.119 (11), p.6398-6404
Hauptverfasser:	Hadipour, Nasser L, Ahmadi Peyghan, Ali, Soleymanabadi, Hamed
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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