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How to calculate the Gibb's free energy for chemisorb proton on Pt surface using DFT method?
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I am interested to calculate the free energy diagram of HER at the equilibrium potential for my electrocatalyst and Pt in an acidic medium? Please suggest how to perform this using DFT?
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I am trying to know the oxidation state of metal ion. But XPS is not available to me. Is therre any technique other than XPS to know the oxidation state?
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Like Langmuir model of adsorption, which has been used for both liquid and gas adsorption, can we use BET model for liquid adsorption?
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Can we measure the BET surface area of amorphous organic polymer using Material studio software? If yes then how many repeating unit we need to use in polymer build-up to calculate the same.
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I have incorporated Fe in SBA-15. What could be possible reduction temperature when measured by Temperature program reduction (TPR).
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I have measured the CO2 and N2 sorption isotherm at two diff temp.(273 and 298 K). I want to calculate the selective uptake of CO2 over N2 by IAST (ideal adsorbed solution theory) method at the...
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Please tell me, how to build condensation polymer using material studio software?
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