Regarding Band gap calculation in siesta ?

Heloo All, I want to study the electronic properties of double wall carbon nanotubes using SIESTA code. For that purpose i calculate the band gap. My band gap value differs from the literature....

10 November 2019 300 3 View

Why AB stacked bilayer graphene is more stable than AA stacked ?

I want to know, how the stacking arrangement of graphene affect its stability ?

05 June 2019 1,221 3 View

COMPUTATIONAL FACILITY ?

HII ALL, I WANT TO KNOW ABOUT CENTRALIZED COMPUTATIONAL FACILITIES IN INDIA. WHAT ARE THE INSTITUTES OR AGENCIES FROM WHERE WE GET ACCESS TO USE COMPUTATIONAL RESOURCES.?

11 December 2016 3,444 0 View

ZnO crystal structure with 16 atoms ?

10 November 2016 6,934 3 View

Computational time in SIESTA code ?

07 August 2016 8,836 2 View

Mesh cutt off and energy shift parameters in siesta ?

hii all i have a question in my mind, i am working using siesta code. now i want to shift on another job, how can i set the parameters like mesh or energy shift on the present job which i used for...

06 July 2016 1,692 1 View

Mesh cutoff and Energy Shift parameters in SIESTA code ?

I everyone, one question always struck in my mind what is the physical significance and actual meaning of two terms used in "SIESTA" code called Mesh cut off and Energy shift parameter. ? How can...

04 May 2016 3,172 0 View

How can i use vander wall interaction parameter in input file for siesta code ?

03 April 2016 883 1 View

Can anybody explain how binding energy explains the stability of any complex ?

how binding energy explain the stability of complex ?

02 March 2016 6,019 8 View

Can anybody have an idea about C40 fullerene ? is C40 fullerene experimentally exsist ?

is C40 fullerene experimentally exsist ? and what are its parameteres like band gap, binding energy?

02 March 2016 4,601 1 View

What is the best way to keep an anaerobic chamber anoxic in the absence of hydrogen?

I'm a graduate student who works with an anaerobe, so I often work in an anaerobic chamber. I've been working on an assay that involves the steady-state of the quinone/ quinol pool. Anoxic...

03 March 2021 2,971 1 View

What is Nano technology with coronavirus helpe the human..and is it nano mterals removal of covid19?

I anwar by adsorption or reaction ..but it is either more method...

02 March 2021 4,811 2 View

How to compare different concentrations of nanoparticles for characterization from ICP-MS?

I took measurements of different concentrations of 15 nm and 5 nm Au nano particle solutions. I'm trying to determine which concentration I measured gives the best reading overall. I also...

02 March 2021 7,626 1 View

LEDs on Vis Light photo degradation of MB water sol via N doped TiO2 in a mini flume?

Good day to all, I have no experience with light emitting diodes. I am building a glass mini flume to demonstrate the photo degradation of Methylene Blue in water running over self cleaning...

26 February 2021 4,026 5 View

Zno nano particles colour changed from white to grey in process of calcination any suggestions?

In the formation of Zno nano particles process, after drying at 120 degree C, my zno nano particles are completely white but when i calcine it for 450 degree C it converts into grey colour. i...

26 February 2021 2,435 4 View

How to model Supercritical water gasification (SCWG) process in Homer software?

Hi everyone How to model Supercritical water gasification (SCWG) process in Homer software?

25 February 2021 4,075 1 View

What is the best solvent to remove PDMS from nano particles?

I want to remove PDMS oligomers from the surface of nanolayers. I have just read a very helpful paper about the compatibility of PDMS with different solvents( Solvent Compatibility of...

24 February 2021 7,845 5 View

Is it possible to define biogas as a fuel in the reformer process(scwg) in Homer software?

Hi every one Is it possible to define biogas as a fuel in the reformer process(scwg) in Homer software? Biogas fuel is not available in the options thanks

23 February 2021 6,518 3 View

How the standard hydrogen electrode value is convertible into reversible hydrogen electrode?

As much I remember +0.0592*pH, as I am working on CatMAP, so my voltage values are in SHE, not RHE.

18 February 2021 1,685 3 View

QPCR tubes for Roche Lightcycler Nano?

We own a small cPCR thermal cycler from Roche, Lightcycler Nano, which is convenient for backup quick runs. Recently, Roche has discontinued the plastics for it and they offer no alternative from...

17 February 2021 8,694 5 View