F  Centers versus Dimer Vacancies on ZnO Surfaces: Characterization by STM and STS Calculations | Zendy

Kováčik Roman | Zendy; Meyer Bernd | Zendy; Marx Dominik | Zendy

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F Centers versus Dimer Vacancies on ZnO Surfaces: Characterization by STM and STS Calculations

Author(s) -

Kováčik Roman,

Meyer Bernd,

Marx Dominik

Publication year - 2007

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200604399

Subject(s) - characterization (materials science) , dimer , scanning tunneling microscope , density functional theory , materials science , oxide , crystallography , chemical physics , chemistry , nanotechnology , computational chemistry , metallurgy , organic chemistry

Not what you'd expect : Contrary to what is usually believed for oxide surfaces, density functional calculations show that not F centers but missing ZnO dimers are the thermodynamically most favorable type of atomic defect on the nonpolar ZnO surface. Simulated STM data may serve as a fingerprint for experimental identification of the different surface defect types. The picture shows a tunneling tip over ZnO (Zn gray, O red, W blue) with the corresponding STM image in between.

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