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A new Cu(II)-based metal-organic framework {[Cu2(1,2-BDC)2(Fbtx)2]·3H2O}n (denoted as Cu-FMOF, CCDC-1519440, 1,2-BDC=1,2-benzenedicarboxylate, Fbtx=1,4-bis(1,2,4-triazole-1-ylmethyl)-2,3,5,6-tetrafluorobenenze) was hydrothermally synthesized and structurally characterized. The Cu-FMOF exhibits a 3D 4-connected coordination framework with the extremely rare (65·8)-hxg-d-4-P2/c topology. Using air as...
We employed first principle molecular dynamics to study the oxygen reduction reaction m echanism on Pt(111) in aqueous environment. The calculation results indicate that OO bond dissociation on Pt(111) surface would proceed after the OOH formation in acid environment and O2 will not dissociate in pure water. Importantly, we find that OOH species will dissociate to Oad and OHad from top-hcp-bridge...
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