scholarly journals Uncertainties in forces extracted from non-contact atomic force microscopy measurements by fitting of long-range background forces

2014 ◽  
Vol 5 ◽  
pp. 386-393 ◽  
Author(s):  
Adam Sweetman ◽  
Andrew Stannard
Keyword(s):  
Atomic Force Microscopy ◽  
Long Range ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Extrapolation Method ◽  
Atomic Scale ◽  
Site Specific ◽  
Force Microscopy ◽  
Atomic Force ◽  
Fitting Method

In principle, non-contact atomic force microscopy (NC-AFM) now readily allows for the measurement of forces with sub-nanonewton precision on the atomic scale. In practice, however, the extraction of the often desired ‘short-range’ force from the experimental observable (frequency shift) is often far from trivial. In most cases there is a significant contribution to the total tip–sample force due to non-site-specific van der Waals and electrostatic forces. Typically, the contribution from these forces must be removed before the results of the experiment can be successfully interpreted, often by comparison to density functional theory calculations. In this paper we compare the ‘on-minus-off’ method for extracting site-specific forces to a commonly used extrapolation method modelling the long-range forces using a simple power law. By examining the behaviour of the fitting method in the case of two radically different interaction potentials we show that significant uncertainties in the final extracted forces may result from use of the extrapolation method.

Investigation of BMI-PF6 Ionic Liquid/Graphite Interface Using Frequency Modulation Atomic Force Microscopy

MRS Advances ◽  
2018 ◽  
Vol 3 (44) ◽  
pp. 2725-2733 ◽  
Author(s):  
Harshal P. Mungse ◽  
Takashi Ichii ◽  
Toru Utsunomiya ◽  
Hiroyuki Sugimura
Keyword(s):  
Molecular Dynamics ◽  
Atomic Force Microscopy ◽  
Frequency Modulation ◽  
Density Functional ◽  
Pyrolytic Graphite ◽  
Density Functional Theory Calculations ◽  
Quartz Tuning Fork ◽  
Dynamics Simulation ◽  
Force Microscopy ◽  
Atomic Force

ABSTRACTStructural analysis on interfaces between ionic liquids (ILs) and solid substrates is an important study for not only the basic fundamental aspects but also many technological processes. In the present work, we utilized frequency modulation atomic force microscopy (FM-AFM) based on a quartz tuning fork sensor to elucidate the structure of interface between 1-butyl-3-methylimidazolium hexafluorophosphate (BMI-PF6) IL and highly ordered pyrolytic graphite (HOPG) surface. It was observed that this IL form solvation layers at their interface, with ∼0.5-0.57 nm thickness of each layer. We have compared our experimental results with previously reported results from molecular dynamics simulation study, and combination of classical molecular dynamics and density functional theory calculations in order to understand the IL/HOPG interface.

scholarly journals Quantitative determination of atomic buckling of silicene by atomic force microscopy

2019 ◽  
Vol 117 (1) ◽  
pp. 228-237 ◽  
Author(s):  
Rémy Pawlak ◽  
Carl Drechsel ◽  
Philipp D’Astolfo ◽  
Marcin Kisiel ◽  
Ernst Meyer ◽  
...  
Keyword(s):  
Atomic Force Microscopy ◽  
Electronic Properties ◽  
Density Functional ◽  
Local Symmetry ◽  
Quantum Spin ◽  
Atomic Scale ◽  
Extended Defects ◽  
Force Microscopy ◽  
Atomic Force ◽  
Structural And Electronic Properties

The atomic buckling in 2D “Xenes” (such as silicene) fosters a plethora of exotic electronic properties such as a quantum spin Hall effect and could be engineered by external strain. Quantifying the buckling magnitude with subangstrom precision is, however, challenging, since epitaxially grown 2D layers exhibit complex restructurings coexisting on the surface. Here, we characterize using low-temperature (5 K) atomic force microscopy (AFM) with CO-terminated tips assisted by density functional theory (DFT) the structure and local symmetry of each prototypical silicene phase on Ag(111) as well as extended defects. Using force spectroscopy, we directly quantify the atomic buckling of these phases within 0.1-Å precision, obtaining corrugations in the 0.8- to 1.1-Å range. The derived band structures further confirm the absence of Dirac cones in any of the silicene phases due to the strong Ag-Si hybridization. Our method paves the way for future atomic-scale analysis of the interplay between structural and electronic properties in other emerging 2D Xenes.

scholarly journals Diacetylene polymerization on a bulk insulator surface

2017 ◽  
Vol 19 (23) ◽  
pp. 15172-15176 ◽  
Author(s):  
A. Richter ◽  
V. Haapasilta ◽  
C. Venturini ◽  
R. Bechstein ◽  
A. Gourdon ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Atomic Force Microscopy ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Insulator Surface ◽  
Force Microscopy ◽  
Atomic Force ◽  
Microscopy Images

Atomic force microscopy images and density-functional theory calculations elucidate on-surface diacetylene polymerization on the bulk insulator surface of calcite.

Atomic Force Microscopy of Atomic-Scale Ledges and Etch Pits Formed During Dissolution of Quartz

Science ◽  
1991 ◽  
Vol 251 (4999) ◽  
pp. 1343-1346 ◽  
Author(s):  
A. J. GRATZ ◽  
S. MANNE ◽  
P. K. HANSMA
Keyword(s):  
Atomic Force Microscopy ◽  
Atomic Scale ◽  
Etch Pits ◽  
Force Microscopy ◽  
Atomic Force

scholarly journals Models of the interaction of metal tips with insulating surfaces

2012 ◽  
Vol 3 ◽  
pp. 329-335 ◽  
Author(s):  
Thomas Trevethan ◽  
Matthew Watkins ◽  
Alexander L Shluger
Keyword(s):  
Plane Wave ◽  
Density Functional ◽  
Metal Cluster ◽  
Density Functional Theory Calculations ◽  
Basis Sets ◽  
Constant Frequency ◽  
Force Microscopy ◽  
Insulating Surfaces ◽  
Atomic Force ◽  
Tip Model

We present the results of atomistic simulations of metallic atomic-force-microscopy tips interacting with ionic substrates, with atomic resolution. Chromium and tungsten tips are used to image the NaCl(001) and MgO(001) surfaces. The interaction of the tips with the surface is simulated by using density-functional-theory calculations employing a mixed Gaussian and plane-wave basis and cluster-tip models. In each case, the apex of the metal cluster interacts more attractively with anions in the surfaces than with cations, over the range of typical imaging distances, which leads to these sites being imaged as raised features (bright) in constant-frequency-shift images. We compare the results of the interaction of a chromium tip with the NaCl surface, with calculations employing exclusively plane-wave basis sets and a fully periodic tip model, and demonstrate that the electronic structure of the tip model employed can have a significant quantitative effect on calculated forces when the tip and surface are clearly separated.

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