Sarga P K

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Questions related from Sarga P K

How can i calculate the band alignmet of Sc2CO2/BlueP heterostructure from DFT?

I know the work function and band gap of each monolayer and heterostructure. I calculated mulliken electronegativity(X) of Sc2CO2 and Bluep. From that i found Ev = X- 4.5+Eg Ec = Ev-Eg, where Eg...

29 June 2024 9,628 0 View

How to calculate the amount of charge transfered from one layer to another layer in an heterostructure after bader charge calculation?

How to calculate the amout of charge transfered from one layer to another layer in an heterostruture after bader charge calculation?

05 October 2023 7,026 0 View