Topics

1

General Questions and Answers / can a charge located near a molecule modifies its conductivity?

« on: October 26, 2010, 18:29 »

I swear this is the last question (for this month )
I got a particular job:
to try to found out if a charge located near the molecule can change its habit to conduct.
With gaussian i made a moecule and i put a charge in a well known position.
can i
1) export the new configuration with the charge in VNL?
2) to study the conduction with the molecular junction system?

if it is possible,i'd finally like to know if i can use directly with vnl without using gaussian or other software...

i hope someone could solve this problem so i'll finally be able to finish my reserch

2

General Questions and Answers / I-V courve for benzene set

« on: October 26, 2010, 01:14 »

 i'd like to know if it is possible to trace an iv courve of a fet starting with the benzene set profile (for example) or starting everything from the beginning....thanks

3

General Questions and Answers / Putting a molecule between two electrods

« on: October 18, 2010, 01:17 »

Hi i'm new with atk and i'd like to know how i can put a molecule into a two-probe system...
i've got atk 2008 and 2010 too i 've just finished to build the Au electrods and i've a terthiophene molecule ready to be studied but i can't put it properly...
how can i do?