Topics

1

General Questions and Answers / ion bombarment graphene nanoribbon

« on: August 8, 2016, 09:17 »

Hi everyone,
 I have a question about ion bombardment for graphene nanoribbon

the question is,
 value of steps,log interval and time step  in both molecular dynamic scripts  are still available for GNR?  because in tutorial material used is graphene sheet.

Thank you

2

General Questions and Answers / charge transfer calculation

« on: February 3, 2016, 04:32 »

Hi everyone,

i have question about charge transfer

if i get value of density electron for Nitrogen Gas (N2) example

N1 = 5.412 then (valence electron - density electron) -->   5 - 5.412 = -0.412
N2 = 5.432 then (valence electron - density electron) -->   5 - 5.432 = -0.432

so, it is correct for calculate charge transfer we need to sum up the value for N1 and N2 ?? (-0.412+(-0.432))

Tq.

3

General Questions and Answers / how to determine charge transfer from MullikenPopulation

« on: January 21, 2016, 09:13 »

Hi,

I have question to ask about how to determine charge transfer from mulliken population ?
Below i attached mulliken popuation data that i have run for my structure

TQ,

4

General Questions and Answers / Sensitivity

« on: November 15, 2015, 08:39 »

Hi everyone,

According to the equation of gas sensitivity which is

ΔR/Ra = (Rg-Ra)/Ra

where Ra and Rg represent  the resistances of the device to air and the analyte gas respectively.
Where the value of sensitivity is simply get from the linear IV curve.

For my case, the IV curve that i got is not linear and i attach the samples of the IV characteristics.
My question is how can i calculate the gas sensitivity if the IV curve is non linear?

5

General Questions and Answers / Sensitivity

« on: October 5, 2015, 04:36 »

Hi everyone,

From the attachment below,
how could i calculate the sensitivity value from the 'curl line' of IV curve?

TQ,

6

General Questions and Answers / sensitivity

« on: August 20, 2015, 07:17 »

Dear sir,

How do i analyze sensitivity of graphene from quantum wise?

Do i have to run the IV characteristic? Or there is another way to find it?

Thank you in advance for your reply .

7

General Questions and Answers / divacancy defect

« on: November 18, 2014, 09:35 »

hi alls, i need to construct divancy defect on graphene nanoribbon.
i got some problems to connect C-C bond atom when the length between them is larger than 1.42A
i attached my construction to view my problem

8

General Questions and Answers / bilayer graphene nanoribbon

« on: October 19, 2014, 10:21 »

Hi everyone..
i am trying to built a bilayer graphene nanoribbon.
i put a piece of graphene layers on the top of each other.
the distance of the two layers is 0.3nm. i am wondering if this is a correct way to develop bilayer graphene nanoribbon. i am trying to built AA stacking and AB stacking . really need advice on this.

thank you..

9

General Questions and Answers / Divacancy (DV) defect

« on: October 19, 2014, 05:18 »

hi everyone
i have problem to create DV defect in my GNR structure, does anyone know how to link these two atoms that i have highlighted in the attached picture