Structural development and energy dissipation in simulated silicon apices

Jarvis, Samuel; Kantorovich, Lev; Moriarty, Philip

doi:10.3762/bjnano.4.106

Cited by 5 publications

(4 citation statements)

References 46 publications

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“…This triggers a reversible (as was shown by as was shown by our calculations of the force-distance curve for retraction of the tip) reconfiguration of the Si dimer at the tip apex. We have previously shown that this sudden distortion of the tip is associated with energy dissipation and hence may manifest itself in the dissipation signal, providing an additional distinct feature for the dimer tip 30 .…”

Section: Resultsmentioning

confidence: 94%

“…To overcome these difficulties, several tip identification protocols have been proposed, such as determining the tip apex chemical identity by performing spectroscopy measurements on ionic KBr 25 , imaging of the Cu:O surface 26 , TiO 2 27 , MgO 28 , Si(100) 29 30 and the hydrogen-passivated Si(111) surface 24 . Fuiju and Fijihira 31 proposed a new sample holder where two surfaces can be mounted side by side: the CaF 2 (111) surface to be used for tip characterisation, while the other contained a mixed assembly of thiolates on the Au(111) surface.…”

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confidence: 99%

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Identifying tips for intramolecular NC-AFM imaging via in situ fingerprinting

Sang

Jarvis

Zhou

et al. 2014

Sci Rep

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A practical experimental strategy is proposed that could potentially enable greater control of the tip apex in non-contact atomic force microscopy experiments. It is based on a preparation of a structure of interest alongside a reference surface reconstruction on the same sample. Our proposed strategy is as follows. Spectroscopy measurements are first performed on the reference surface to identify the tip apex structure using a previously collected database of responses of different tips to this surface. Next, immediately following the tip identification protocol, the surface of interest is studied (imaging, manipulation and/or spectroscopy). The prototype system we choose is the mixed Si(111)-7×7 and surface which can be prepared on the same sample with a controlled ratio of reactive and passivated regions. Using an “in silico” approach based on ab initio density functional calculations and a set of tips with varying chemical reactivities, we show how one can perform tip fingerprinting using the Si(111)-7×7 reference surface. Then it is found by examining the imaging of a naphthalene tetracarboxylic diimide (NTCDI) molecule adsorbed on surface that negatively charged tips produce the best intramolecular contrast attributed to the enhancement of repulsive interactions.

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Section: Resultsmentioning

confidence: 94%

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confidence: 99%

Identifying tips for intramolecular NC-AFM imaging via in situ fingerprinting

Sang

Jarvis

Zhou

et al. 2014

Sci Rep

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“…This approach has been an interesting approach to simulate AFM images, , but this does not fully capture the nature of the tip/sample forces. For this reason, many other works have modeled the complex interaction processes between explicit probe tips and surfaces by first-principles calculations. ,− Accordingly, it is important to take account that the chemical complexity of the probe tips is the biggest challenge for its modeling in the NC-AFM simulations, even for the standard silicon usually used in the experiments. On the other hand, according to Si probe tip models proposed in Caciuc et al, , Oyabu et al, Kantorovich et al, and Bamidele et al, just the terminal probe tips indeed dominate the short-range forces for each surface atomic site.…”

Section: Introductionmentioning

confidence: 99%

Noncontact AFM First-Principles Simulations of Functionalized Silicon Tips on the Montmorillonite (001) Surface

Alvim

Miranda

2016

J. Phys. Chem. C

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The interaction between functionalized silicon probe tips and the montmorillonite (MMT) surface was studied through density-functional theory (DFT) with the van der Waals DF (vdW-DF) to include the contribution of the vdW forces in the interaction energy of the tip/MMT interface. On the basis of the noncontact AFM (NC-AFM) technique, we modeled an explicit Si probe tip that was functionalized with sulfonic acid (SA) and ethylene glycol (EG) groups present in polymeric surfactants. Accordingly, we obtained the short-range microscopic forces to investigate the hysteresis mechanism due to the approach and retraction processes of the tips as well as tip tilt, usually leading to the topographic and dissipation image contrasts. Furthermore, it was possible assert the influence of different hydrophilicity degrees toward the oxygen sites at the silicate sheet of the MMT (001) surface, which is related to important processes of surface interaction. Our results showed both SA and EG hydrophilic functional groups are selective onto the two basal oxygen sites, which also take place in the interaction on the siloxane cavity in the MMT surface. In particular, on the basal oxygen site that interacts with the intralayer hydroxyl group, the EG tip leads to an energy dissipation due to different force pathways mainly in the repulsion region, while possible energy barriers can be overcome by approaching a larger tip tilt on the other basal oxygen site in the attraction region. This tip could then display less frequency shift on the basal oxygen sites of MMT. Therefore, our results can clarify important questions about the complexity of the interaction forces between functionalized silicon probe tips and MMT in the NC-AFM experiments. Moreover, this work provides a first-principles model to describe the hydrophilic selectivity of polymeric surfactants from the interaction between nonionic −OH groups and aluminosilicate surfaces in the absence of hydrophilic ions at the interlayer region.

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“…As noted above, the use of qPlus DFM, with its associated ability to exploit probe oscillation amplitudes as small as 20 pm, will produce much-enhanced sensitivity to short range forces and will facilitate direct comparison of experimental force-distance curves and force-fields (see discussion below on atomtracking-enabled 'grid spectroscopy') with the results of our DFT simulations of the tip-sample interaction. In addition to carrying out a detailed characterisation of Group III-and Group V-terminated tip apices (for a variety of structures, as for our previous work on Si-terminated tips [35]), we will also investigate the interaction of (non-Group-III-)metal-terminated tips (Au-, Mn-, and W-) with III-V surfaces. A particular goal throughout will be the identification of specific spectral signatures in the force-distance curves (and associated dissipation-distance curves) which will enable us to classify the experimental tip apices into various classes (e.g.…”

Section: Iiia Chemical Contrast On Iii-v Surfacesmentioning

confidence: 99%