Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging
Abstract
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.
- Authors:
-
- Univ. of Texas, Austin, TX (United States). Dept. of Chemical Engineering
- Univ. of Texas, Austin, TX (United States). Center for Computational Materials, Inst. for Computational Engineering and Sciences
- Yale Univ., New Haven, CT (United States). Dept. of Applied Physics
- Publication Date:
- Research Org.:
- Univ. of Texas, Austin, TX (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)
- OSTI Identifier:
- 1471069
- Alternate Identifier(s):
- OSTI ID: 1252114
- Grant/Contract Number:
- FG02-06ER46286; SC0008877
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Applied Physics Letters
- Additional Journal Information:
- Journal Volume: 108; Journal Issue: 19; Journal ID: ISSN 0003-6951
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Lee, Alex J., Sakai, Yuki, Kim, Minjung, and Chelikowsky, James R. Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging. United States: N. p., 2016.
Web. doi:10.1063/1.4948600.
Lee, Alex J., Sakai, Yuki, Kim, Minjung, & Chelikowsky, James R. Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging. United States. https://doi.org/10.1063/1.4948600
Lee, Alex J., Sakai, Yuki, Kim, Minjung, and Chelikowsky, James R. Mon .
"Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging". United States. https://doi.org/10.1063/1.4948600. https://www.osti.gov/servlets/purl/1471069.
@article{osti_1471069,
title = {Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging},
author = {Lee, Alex J. and Sakai, Yuki and Kim, Minjung and Chelikowsky, James R.},
abstractNote = {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.},
doi = {10.1063/1.4948600},
journal = {Applied Physics Letters},
number = 19,
volume = 108,
place = {United States},
year = {Mon May 09 00:00:00 EDT 2016},
month = {Mon May 09 00:00:00 EDT 2016}
}
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Works referencing / citing this record:
Copper-oxide tip functionalization for submolecular atomic force microscopy
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Simulating noncontact atomic force microscopy images
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