Hydrogen tautomerization: A simple approach to tune spin-filtering effects in a quinone-based spintronic device

Hydrogen tautomerization: A simple approach to tune spin-filtering effects in a quinone-based... Hydrogen tautomerization, a kind of intramolecular hydrogen-transfer reaction without changing the shape or position of single-molecules, has been successfully implemented in the experiment [Nature chem. 6 (2014) 41]. In this work, we find that the hydrogen tautomerization can play an important role in tuning the spin-filtering effects of a quinone-based spintronic device. Calculations using the first-principles method reveal that when the magnetic configuration of the spintronic device is set as parallel, the hydrogen tautomerization significantly enhances the spin-filtering effect. Namely, the spin-filtering ratio of the device can be increased from about 27% to about 94%. However, when the antiparallel magnetic configuration is applied in the device, the hydrogen tautomerization weakens the spin-filtering effect. Calculation results show that the corresponding spin-filtering ratio can be decreased from about 100% to about 10%. Our results might imply that a single-molecule spin-filter can be stably tuned and does not radically change its outer shape when assembled into nanoelectrical circuits. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Organic Electronics Elsevier

Hydrogen tautomerization: A simple approach to tune spin-filtering effects in a quinone-based spintronic device

Loading next page...
 
/lp/elsevier/hydrogen-tautomerization-a-simple-approach-to-tune-spin-filtering-PYMgHbEP68
Publisher
Elsevier
Copyright
Copyright © 2016 Elsevier B.V.
ISSN
1566-1199
D.O.I.
10.1016/j.orgel.2016.04.043
Publisher site
See Article on Publisher Site

Abstract

Hydrogen tautomerization, a kind of intramolecular hydrogen-transfer reaction without changing the shape or position of single-molecules, has been successfully implemented in the experiment [Nature chem. 6 (2014) 41]. In this work, we find that the hydrogen tautomerization can play an important role in tuning the spin-filtering effects of a quinone-based spintronic device. Calculations using the first-principles method reveal that when the magnetic configuration of the spintronic device is set as parallel, the hydrogen tautomerization significantly enhances the spin-filtering effect. Namely, the spin-filtering ratio of the device can be increased from about 27% to about 94%. However, when the antiparallel magnetic configuration is applied in the device, the hydrogen tautomerization weakens the spin-filtering effect. Calculation results show that the corresponding spin-filtering ratio can be decreased from about 100% to about 10%. Our results might imply that a single-molecule spin-filter can be stably tuned and does not radically change its outer shape when assembled into nanoelectrical circuits.

Journal

Organic ElectronicsElsevier

Published: Aug 1, 2016

References

You’re reading a free preview. Subscribe to read the entire article.


DeepDyve is your
personal research library

It’s your single place to instantly
discover and read the research
that matters to you.

Enjoy affordable access to
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.

See the journals in your area

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

Start Free Trial

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
Start Free Trial

14-day Free Trial