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NCN Nanoelectronics: Simulation Tools for Education

MolCToy

This resource has a 6.6 Ranking

Ranking is calculated from a formula comprised of user reviews and usage statistics. Learn more ›

Usage Stats
Overall Period: Updated 28 Aug, 2008
Users: 894
Jobs: 9760
Avg. exec. time: 3 secs
Reviews & Citations
Google/IEEE: updated 24 Mar, 2008
Avg. Review: 3.0 out of 5 stars
Citations: 5

894 users, detailed statistics

4 reviews (Review this)

5 citations

0 questions (Ask a question)

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This tool is closed source.

Available Versions

  • 1 (published)
Version 1 - published on 08 Jun, 2005
Contributor(s) Magnus Paulsson, Ferdows Zahid, Supriyo Datta, Michael McLennan
Purdue University, West Lafayette
At a glance A collection of simple theoretical models of the conduction through individual molecules between two contacts.
Screenshots
  • Demo #1
  • Screenshot #1
  • Screenshot #2
Description

Molecular Conduction (Toy) computes current-voltage (I-V) characteristics and conductance spectrum (G-V) of a molecule sandwiched between two metallic contacts one of which could be a scanning probe. This tool similar to Huckel-IV, but with a simplified, toy model. It reproduces much of the same physics, but with non-physical inputs. In particular, you specify the energy levels of a hypothetical molecule, the coupling between the molecule and the contacts, and an estimate of the single-electron charging energy for the molecule. Huckel-IV, on the other hand, takes the arrangement of atoms in a molecule and computes the other quantities directly from that.

References
  • Cover image

    Quantum Transport: Atom to Transistor

    by Supriyo Datta (Cambridge - July 11, 2005)

    This book presents a unique approach to the fundamentals of quantum transport, and is aimed at senior undergraduate and graduate students. Some of the most advanced concepts of non-equilibrium statistical mechanics are included and yet no prior acquaintance with quantum mechanics is assumed.

  • Cover image

    Handbook of Nanoscience, Engineering, and Technology - Second Edition

    W. A. Goddard, D. Brenner, S. E. Lyshevski, G. J. Iafrate, editors (CRC Press / Taylor & Francis Group - May 3, 2007)

    Presents the current state and future directions of the nano field as viewed by the top experts in each area. Includes a chapter on Resistance of a Molecule, which describes the theory behind the MolCToy simulation tool.

  • S. Datta, "Electrical Resistance: An Atomistic View", Nanotechnology 15, S433 (2004).
Cite this work

If you reference this work in a publication, please cite as follows:

  • Paulsson, Magnus; Zahid, Ferdows; Datta, Supriyo; McLennan, Michael (2005), "MolCToy," doi: 10254/nanohub-r225.1.

    BibTex | EndNote

In addition, we would appreciate it if you would add the following acknowledgment to your publication:

  • Simulation services for results presented here were provided by the Network for Computational Nanotechnology (NCN) at nanoHUB.org

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Reviews

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  1. 0.0 out of 5 stars 

    Posted on 13 December, 2006 by Surya Shashank R. Birudavolu

    there is still room for improvement for graphical data

  2. 4.0 out of 5 stars 

    Posted on 26 September, 2006 by Anonymous

    The overall simulations of MolCToy are good except for the graphical data. Different colors should be used to identify the different parameters being plotted.

    Molecular Team UTEP F06

  3. 4.0 out of 5 stars 

    Posted on 26 September, 2006 by Erik Manley

    This tool gives you a better understanding of how molecular conduction works and the graphs help you visualize how changes in different variables effect the I/V characteristics.

    UTEP E.M.

  4. 4.0 out of 5 stars 

    Posted on 21 September, 2006 by Anonymous

    Very user friendly, worth a try.

    suggestions
    1. make each plot of a simulation a different color.

    2. More explanation of what the graphs mean.

    Molecular Electronics UTEP Team F06

See also

The following are resources that may cover similar or related topics.

  • 5.5 Ranking Series Part of: NCN Nanoelectronics: Simulation Tools for Education

    NCN Nanoelectronics: Simulation Tools for Education

    Type Series
    Date 28 Nov, 2007
    Avg. Rating 0.0 out of 5 stars  (0)
    Rate this

    Many simulation tools are available on the nanoHUB. The tools have been well-tested and here include supporting materials so that they can be effectively used for education or intelligently used for research. The educational tools include example a first time users guide and example homework …

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