Brajesh Rajesh Bhagat

4 Questions 20 Answers 0 Followers

Questions related from Brajesh Rajesh Bhagat

Will there be formation of built-in electric field between adsorbate-adsorbent ?

A variety of adsorption studies are being carried out globally. I want to know, if any molecule is adsorbed over the surface of any substrate will built-in electric field generation take place at...

16 August 2022 4,505 1 View

Do I need to optimize the crystal structure computationally if I design the structure using lattice parameter calculated by rietveld refinement ?

If I know crystal structure (lattice parameters, atomic positions) from experiments(rietveld refinement data) and I generate the structure file using this data, should I optimized...

22 September 2021 1,451 2 View

How to calculate the effect of salts in sea water electro-catalysis using density functional theory ?

Requirement of hydrogen as fuel directs us to utilise sea water but the computational techniques for such analysis are rare, how do we simulate the sea water catalysis using ab inito methods

06 July 2021 5,295 1 View

Can any material work simultaneously as a photocatalyst for dye degradation and water splitting, practically ?

Various materials have been studied which show photo catalytic behavior and water splitting property but can any material do this work simultaneously at the same time for the same solution ?

26 July 2019 7,963 8 View