1 / 12

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.

gaille
Télécharger la présentation

Application of Density Functional Theory to Scanning Tunneling Microscopy

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript


  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

More Related