I was going through the paper "wang et. al. ACS nano Vol3, No.10, 2995-3000, (2009)" where the binding energy of Titanium on Graphene oxide (figure:3) was done using below mentioned formula: Eb (Ti) = E(GO) + E(Ti) - E(Ti/GO)
Here I have a confusion, as for E(GO) some of the oxygen atoms are double bonded with the Graphene sheet, but in E(Ti/GO) few oxygen breaks one of the bond from the sheet and get attached to Ti atom. So here the final structure of Ti-with-GO is completely different. So my question is that is the way of calculating the Binding energy of Ti on Grapehene oxide is correct? If yes then can anyone explain this? With best regards, Rajiv Kumar Chouhan, Post-Doctoral Fellow, Boise State University, Idhao-83725
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum