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Application of Density Functional Theory to Scanning Tunneling Microscopy

Application of Density Functional Theory to Scanning Tunneling Microscopy. Noel O’Boyle Han Vos Dublin City University. National Centre for Sensor Research. STM tip. Osmium (II/III) complex. Gold Surface. In situ Scanning Tunneling Microscopy. Counter. Reference. Bias voltage.

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Application of Density Functional Theory to Scanning Tunneling Microscopy

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  1. Application of Density Functional Theory to Scanning Tunneling Microscopy Noel O’Boyle Han Vos Dublin City University National Centre for Sensor Research

  2. STM tip Osmium (II/III) complex Gold Surface In situ Scanning Tunneling Microscopy Counter Reference Bias voltage

  3. [Os(bpy)2(P0P)Cl]+ [Os(bpy)2(P2P)Cl]+

  4. DFT (B3LYP/LanL2DZ) [Os(bpy)2(P0P)Cl]+ [Os(bpy)2(P2P)Cl]+

  5. LUMO LUMO HOMO HOMO [Os(bpy)2(P0P)Cl]+ [Os(bpy)2(P2P)Cl]+

  6. LUMO LUMO HOMO HOMO

  7. LUMO LUMO LUMO HOMO HOMO HOMO

  8. Acknowledgements: SUSANA network Prof. Jens Ulstrup Prof. Han Vos Dr. Tim Albrecht

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