Direct Imaging of Molecular Orbitals of Metal Phthalocyanines on Metal Surfaces with an O2-Functionalized Tip of a Scanning Tunneling Microscope

High-resolution scanning tunneling microscope images of iron phthalocyanine and zinc phthalocyanine molecules on Au（111） have been obtained using a functionalized tip of a scanning tunneling microscope （STM）, and show rich intramolecular features that are not observed using clean tips. Ab initio den...

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Bibliographic Details
Published inNano research Vol. 4; no. 6; pp. 523 - 530
Main Authors Cheng, Zhihai, Du, Shixuan, Guo, Wei, Gao, Li, Deng, Zhitao, Jiang, Nan, Guo, Haiming, Tang, Hao, Gao, H. -J.
Format Journal Article
LanguageEnglish
Published Heidelberg Tsinghua Press 01.06.2011
Springer Nature B.V
Springer
Subjects
Atomic/Molecular Structure and Spectra
Biomedicine
Biotechnology
Catalysis
Chemical reactions
Chemistry and Materials Science
Condensed Matter
Condensed Matter Physics
Electrons
Materials Science
Nanotechnology
Other
Physics
Research Article
Simulation
Topography
Tungsten
Zinc
分子轨道
密度泛函理论
成像
扫描隧道显微镜
氧分子
轨道相互作用
金属表面
金属酞菁
functionalized STM tip
molecular orbital
High-resolution scanning tunneling microscope (STM) imaging
metal phthalocyanines
density functional theory calculation
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Summary:High-resolution scanning tunneling microscope images of iron phthalocyanine and zinc phthalocyanine molecules on Au（111） have been obtained using a functionalized tip of a scanning tunneling microscope （STM）, and show rich intramolecular features that are not observed using clean tips. Ab initio density functional theory calculations and extended Huckel theory calculations revealed that the imaging of detailed electronic states is due specifically to the decoration of the STM tip with O2. The detailed structures are differentiated only when interacting with the highly directional orbitals of the oxygen molecules adsorbed on a truncated, [111]-oriented tungsten tip. Our results indicate a method for increasing the resolution in generic scans and thus, have potential applications in fundamental research based on high-resolution electronic states of molecules on metals, concerning, for example, chemical reactions, and catalysis mechanisms.
Bibliography:11-5974/O4
High-resolution scanning tunneling microscope images of iron phthalocyanine and zinc phthalocyanine molecules on Au（111） have been obtained using a functionalized tip of a scanning tunneling microscope （STM）, and show rich intramolecular features that are not observed using clean tips. Ab initio density functional theory calculations and extended Huckel theory calculations revealed that the imaging of detailed electronic states is due specifically to the decoration of the STM tip with O2. The detailed structures are differentiated only when interacting with the highly directional orbitals of the oxygen molecules adsorbed on a truncated, [111]-oriented tungsten tip. Our results indicate a method for increasing the resolution in generic scans and thus, have potential applications in fundamental research based on high-resolution electronic states of molecules on metals, concerning, for example, chemical reactions, and catalysis mechanisms.
High-resolution scanning tunneling microscope （STM） imaging, functionalized STM tip, metal phthalocyanines,molecular orbital, density functional theory calculation
ISSN:1998-0124
1998-0000
DOI:10.1007/s12274-011-0108-y