Towards Practica Molecular Devices对实际分子器件.pptVIP

Towards Practical Molecular Devices Noel O’Boyle Han Vos Research Group X246 Introduction Molecular device “capable of performing a useful function at the molecular level” Supramolecular chemistry Supramolecular chemistry Supramolecular chemistry Supramolecular chemistry Supramolecular chemistry Supramolecular chemistry Metal-Metal dyads Molecular device Molecular device Charge injection Can be studied using: UV-Vis of ruthenium complex UV-Vis of TiO2 Lifetime of excited state of ruthenium complex But occurs in 100 fs! (ultrafast) Outline of future work Slow down the charge injection Change surface roughnesses Use different surfaces Use different complexes Semiempirical calculations Using ZINDO (in Hyperchem) to find: Orbital energies Location of HOMO levels Contribution of ligands and metal centres to orbitals Assign the peaks in the UV-Vis spectrum to specific transitions between energy levels [Ru(bpy)2(pytrzph(OMe)2)]+ Acknowledgements Prof. Han Vos Han Vos Research Group Enterprise Ireland For more information see: http://www.dcu.ie/~chemist/Staffpages/han_vos.htm * * Supermolecule “has the intrinsic properties of each of its components” “has properties above and beyond those of the individual components” Ground state Excited state Ground state Excited state Ground state Excited state (1) Ground state Excited state (1) Ground state Excited state (1) Excited state (2) Ground state Ru e- TiO2 - + e- e- - + *