Author Topic: Nanotube Graphene Junction  (Read 13445 times)

0 Members and 1 Guest are viewing this topic.

Offline ragnihotry1

  • New QuantumATK user
  • *
  • Posts: 2
  • Reputation: 0
    • View Profile
Nanotube Graphene Junction
« on: August 4, 2009, 22:58 »
Could anybody help me to make a junction between nanotube and graphene.  Would it be available any script?

Agni

Offline serhan

  • Heavy QuantumATK user
  • ***
  • Posts: 98
  • Reputation: 1
    • View Profile
Re: Nanotube Graphene Junction
« Reply #1 on: August 5, 2009, 22:25 »
Hi Agni. Welcome to the forum!

Could you please give a reference of the geometry, then we'd help you more.

Cheers,
Serhan

Offline ragnihotry1

  • New QuantumATK user
  • *
  • Posts: 2
  • Reputation: 0
    • View Profile
Re: Nanotube Graphene Junction
« Reply #2 on: August 6, 2009, 00:24 »
Dear Serhan,

Please find attached a document for CNT-Graphne junction.  Could you please get me a sample script for this type of junction?

Many thanks,

Agni

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5578
  • Country: dk
  • Reputation: 98
    • View Profile
    • QuantumATK at Synopsys
Re: Nanotube Graphene Junction
« Reply #3 on: August 6, 2009, 09:36 »
This is a very complex - and interesting - system, which requires a lot of thought and considerations. Not least: how do you imagine this to form a transport system? What would be the electrode?

The algorithms they use can probably easily be reimplemented in Python, if you have all the details. Perhaps you can get those from the authors of the article (also don't forget to read Ref. 1).

I don't think anyone else can help you write the script, however, this is a big task.

Offline serhan

  • Heavy QuantumATK user
  • ***
  • Posts: 98
  • Reputation: 1
    • View Profile
Re: Nanotube Graphene Junction
« Reply #4 on: August 6, 2009, 16:44 »
Hi Again,

As Dr. Blom said, the system is very complex. However, I have an idea. If you can import graphene and CNT coordinates and move the cordinates of graphene to position it under the CNT, you may obtain the geometry. For re-positioning the atoms of a configuration please consider this thread: http://quantumwise.com/forum/index.php?topic=76.0

If you do please let us to see it ;)

Cheers,
Serhan