Bibhas Manna

4 Questions 4 Answers 0 Followers

Questions related from Bibhas Manna

Why the relaxed structure got distorted ??

Dear SIESTA users, I am using SIESTA (4.1-b3) code for the relaxation of graphene-metal oxide interface structure. It has been seen that after few 'vc-relaxation' steps, some atoms of the...

07 February 2019 4,468 5 View

Is it possible to make an interface between hexagonal and tetragonal lattice structures ?

I want to create an interface (stack) between Graphene and TiO2 unitcells. As we know that the graphene has hexagonal lattice structure and TiO2 has tetragonal one, is it possible to make the...

12 December 2018 7,213 2 View

Can anyone please help me to solve the problem regarding transiesta run at higher bias points ??

Dear Experts, I am using transiesta code to get the I-V characteristics of a 2D structure (defected AGNR sheet). All the calculations (electrode, transiesta and tbtrans) run perfectly for some...

22 May 2018 5,100 4 View

How to achieve very low concentration (1 ppm or so) of Formaldehyde ?

How to achieve very low concentration (1 ppm or so) of Volatile Organic Compound like Formaldehyde which has higher vapor pressure. I am using 37% formaldehyde solution to generate formaldehyde...

26 May 2017 2,661 4 View