First-principles investigation on transport properties of $$\hbox {Zn}_{2}\hbox {SnO}_{4}$$ Zn 2 SnO 4 molecular device and response toward $$\hbox {NO}_{2}$$ NO 2 gas molecules

First-principles investigation on transport properties of $$\hbox {Zn}_{2}\hbox {SnO}_{4}$$... The transport properties of a $$\hbox {Zn}_{2}\hbox {SnO}_{4}$$ Zn 2 SnO 4 device along with adsorption properties of $$\hbox {NO}_{2}$$ NO 2 gas molecules on $$\hbox {Zn}_{2}\hbox {SnO}_{4}$$ Zn 2 SnO 4 (ZTO) molecular devices are investigated with density functional theory using the non-equilibrium Green’s function technique. The transmission spectrum and device density of states spectrum confirm the changes in HOMO–LUMO energy level due to transfer of electrons between the ZTO-based material and the $$\hbox {NO}_{2}$$ NO 2 molecules. I–V characteristics demonstrate the variation in the current upon adsorption of $$\hbox {NO}_{2}$$ NO 2 gas molecules on the ZTO device. The findings of the present study clearly suggest that ZTO molecular devices can be used to detect $$\hbox {NO}_{2}$$ NO 2 gas molecules in the trace level. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Computational Electronics Springer Journals

First-principles investigation on transport properties of $$\hbox {Zn}_{2}\hbox {SnO}_{4}$$ Zn 2 SnO 4 molecular device and response toward $$\hbox {NO}_{2}$$ NO 2 gas molecules

, Volume 17 (1) – Aug 5, 2017
8 pages

/lp/springer_journal/first-principles-investigation-on-transport-properties-of-hbox-zn-2-ucwuicQFFt
Publisher
Springer US
Subject
Engineering; Mathematical and Computational Engineering; Electrical Engineering; Theoretical, Mathematical and Computational Physics; Optical and Electronic Materials; Mechanical Engineering
ISSN
1569-8025
eISSN
1572-8137
D.O.I.
10.1007/s10825-017-1047-y
Publisher site
See Article on Publisher Site

Abstract

The transport properties of a $$\hbox {Zn}_{2}\hbox {SnO}_{4}$$ Zn 2 SnO 4 device along with adsorption properties of $$\hbox {NO}_{2}$$ NO 2 gas molecules on $$\hbox {Zn}_{2}\hbox {SnO}_{4}$$ Zn 2 SnO 4 (ZTO) molecular devices are investigated with density functional theory using the non-equilibrium Green’s function technique. The transmission spectrum and device density of states spectrum confirm the changes in HOMO–LUMO energy level due to transfer of electrons between the ZTO-based material and the $$\hbox {NO}_{2}$$ NO 2 molecules. I–V characteristics demonstrate the variation in the current upon adsorption of $$\hbox {NO}_{2}$$ NO 2 gas molecules on the ZTO device. The findings of the present study clearly suggest that ZTO molecular devices can be used to detect $$\hbox {NO}_{2}$$ NO 2 gas molecules in the trace level.

Journal

Journal of Computational ElectronicsSpringer Journals

Published: Aug 5, 2017

DeepDyve is your personal research library

It’s your single place to instantly
that matters to you.

over 12 million articles from more than
10,000 peer-reviewed journals.

All for just $49/month Explore the DeepDyve Library Unlimited reading Read as many articles as you need. Full articles with original layout, charts and figures. Read online, from anywhere. Stay up to date Keep up with your field with Personalized Recommendations and Follow Journals to get automatic updates. Organize your research It’s easy to organize your research with our built-in tools. Your journals are on DeepDyve Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more. All the latest content is available, no embargo periods. Monthly Plan • Read unlimited articles • Personalized recommendations • No expiration • Print 20 pages per month • 20% off on PDF purchases • Organize your research • Get updates on your journals and topic searches$49/month

14-day Free Trial

Best Deal — 39% off

Annual Plan

• All the features of the Professional Plan, but for 39% off!
• Billed annually
• No expiration
• For the normal price of 10 articles elsewhere, you get one full year of unlimited access to articles.

$588$360/year

billed annually

14-day Free Trial