Messages

1

General Questions and Answers / << script to decorate/functionalize nanotube >>

« on: September 16, 2021, 20:44 »

Hello,

I would like to know if there is any plugin or known script that permit the decoration or functionalization of nanostructures.

I am thinking in having a carbon nanotube, and randomly adding a functional group like -OH specifying the functionalization percentages, for example.

Regards,

Camps

2

Installation and License Questions / << Download links for VirtualNanoLab 2017 >>

« on: July 28, 2021, 22:41 »

Dears,

I own a perpetual academic license for Virtual Nano Lab (VNL) 2017.

I reinstalled my OS and loose my backup with the installation files.

Is there a place where I can download this old version of VNL?

Regards,

Camps

3

General Questions and Answers / << Adding H atoms to a Möbius sheet >>

« on: November 25, 2019, 20:08 »

Hello,

I am interested in building Möbius based on graphene sheets.

To do that, I am following the recommendations in this link (https://forum.quantumatk.com/index.php?topic=2752.0).

My issue is that when I add the hydrogen atoms, they are not added homogeneously over the Möbius. There are rings with only 2 hydrogens added where other have 8.

I changed the size of the repeated units of the graphene sheet, but the problem continues.

I am using the Free Academic version of Virtual NanoLab (2017.1).

The images of three Mobius are attached below.

Regards,

Camps

4

General Questions and Answers / << exporting device to TranSIESTA >>

« on: October 4, 2017, 15:33 »

Hello,

I would like to know if it is possible (directly from VNL or using a plugin) to export a device designed in VNL to the TranSIESTA input file format.

I am using the academic version of VNL.

Thanks in advance,

Camps

5

General Questions and Answers / Re: << build a nanoribbon from crystal >>

« on: February 9, 2012, 12:05 »

Dear Anders,

Good to hear that for 12.2 it could be possible!

Well, I am working with SnO2. We did a device and some experimental I/V curves. Now I want to make a theoretical study.

Regards,

Camps

6

General Questions and Answers / << build a nanoribbon from crystal >>

« on: February 8, 2012, 23:01 »

Hello all,

I would like to know if it is possible to generate a ribbon form a "generic" crystal structure (from ATK database or imported) inside ATK. I need a ribbon to do transport calculations.

If not, do you know a tool to do that?

Best regard,

Camps