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How to calculate the ion adsorption energy on a surface?

Posted: Fri Mar 18, 2016 7:34 am
by sunsr
Hi, We want to calculate the ion adsorption energy on some surface,such as the bivalent copper ion (Cu2+) adsorbed on the ZnO surface. Could VSAP treat it as the neutral system?

Re: How to calculate the ion adsorption energy on a surface?

Posted: Fri Mar 18, 2016 1:15 pm
by admin