Electronic transport properties of BN sheet on adsorption of ammonia (NH3) gas

We report the detection of ammonia gas through electronic and transport properties analysis of boron nitride sheet. The density functional theory (DFT) based ab initio approach has been used to calculate the electronic and transport properties of BN sheet in presence of ammonia gas. Analysis confirm...

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Veröffentlicht in:	Journal of molecular modeling 2015-03, Vol.21 (3), p.39-39, Article 39
Hauptverfasser:	Srivastava, Anurag, Bhat, Chetan, Jain, Sumit Kumar, Mishra, Pankaj Kumar, Brajpuriya, Ranjeet
Format:	Artikel
Sprache:	eng
Schlagworte:	Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry Molecular Medicine Original Paper Theoretical and Computational Chemistry
Online-Zugang:	Volltext
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