Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging
- Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States)
- Center for Computational Materials, Institution for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas, 78712 (United States)
- Department of Applied Physics, Yale University, New Haven, Connecticut 06520 (United States)
- Center for Computational Materials, Institute for Computational Engineering and Sciences, Departments of Physics and Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States)
Experimental atomic force microscopy (AFM) studies have reported distinct features in regions with little electron density for various organic systems. These unexpected features have been proposed to be a direct visualization of intermolecular hydrogen bonding. Here, we apply a computational method using ab initio real-space pseudopotentials along with a scheme to account for tip tilting to simulate AFM images of the 8-hydroxyquinoline dimer and related systems to develop an understanding of the imaging mechanism for hydrogen bonds. We find that contrast for the observed “hydrogen bond” feature comes not from the electrostatic character of the bonds themselves but rather from repulsive tip tilting induced by neighboring electron-rich atoms.
- OSTI ID:
- 22591716
- Journal Information:
- Applied Physics Letters, Vol. 108, Issue 19; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
- Country of Publication:
- United States
- Language:
- English
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