Yayati Naresh Palai

2 Questions 5 Answers 0 Followers

Questions related from Yayati Naresh Palai

How to adsorb molecule on solid surface (slab model) for dft calculations ?

I am trying to do dft calculations on the surface of Heterogeneous catalysts using Quantum espresso code. What would be a good software (free or open-source if available or other paid options) to...

21 July 2021 2,752 5 View

Can somebody suggest best method for recovery of the grafted catalysts in mesoporous supports through organic linker ?

I synthesized some catalysts where I am covalentntly grafting the Cerrium ions to the diamine functionalized SBA-15 support. Using it I am doing p-cresol oxidation reaction. For the recovery of my...

19 April 2017 5,250 3 View