Log in

Relevant bibliographies by topics / Simulations STM / Journal articles

To see the other types of publications on this topic, follow the link: Simulations STM.

Journal articles on the topic 'Simulations STM'

Author: Grafiati

Published: 28 September 2024

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 50 journal articles for your research on the topic 'Simulations STM.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Browse journal articles on a wide variety of disciplines and organise your bibliography correctly.

1

Wilson, J. H., D. A. McInnes, J. Knall, A. P. Sutton, and J. B. Pethica. "Quantitative voltage-dependent STM image simulations for semiconductors." Ultramicroscopy 42-44 (July 1992): 801–8. http://dx.doi.org/10.1016/0304-3991(92)90361-m.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Bocquet, Marie-Laure, and Bin Wang. "Metal–organic interaction probed by First Principles STM simulations." Progress in Surface Science 85, no. 9-12 (September 2010): 435–59. http://dx.doi.org/10.1016/j.progsurf.2010.09.001.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Tremblay, Jean Christophe, and María Blanco-Rey. "Manipulating interfacial hydrogens at palladium via STM." Physical Chemistry Chemical Physics 17, no. 21 (2015): 13973–83. http://dx.doi.org/10.1039/c5cp00663e.

Full text

Abstract:

In this contribution, we provide a quantum dynamical analysis of the interfacial hydrogen migration mediated by scanning tunneling microscopy (STM). It is observed that the hydrogen impurity favors resurfacing over occupation of the bulk and subsurface sites whenever possible. The present simulations give strong indication that the experimentally observed protuberances after STM-excitation are due to H accumulating in the vicinity of the surface.

APA, Harvard, Vancouver, ISO, and other styles

4

Zhang, Rui, Liang Li, Laszlo Frazer, Kelvin B. Chang, Kenneth R. Poeppelmeier, Maria K. Y. Chan, and Jeffrey R. Guest. "Atomistic determination of the surface structure of Cu2O(111): experiment and theory." Physical Chemistry Chemical Physics 20, no. 43 (2018): 27456–63. http://dx.doi.org/10.1039/c8cp06023a.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Nakagiri, Nobuyuki, and Hiroshi Kaizuka. "Simulations of STM Images and Work Function for Rough Surfaces." Japanese Journal of Applied Physics 29, Part 1, No. 4 (April 20, 1990): 744–49. http://dx.doi.org/10.1143/jjap.29.744.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Rochefort, Alain, Stéphane Bedwani, and Alejandro Lopez-Bezanilla. "Evidence for π-Interactions in Stacked Polymers by STM Simulations." Journal of Physical Chemistry C 115, no. 38 (September 2011): 18625–33. http://dx.doi.org/10.1021/jp204832q.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Magoga, Michaël, Fabien Archambault, and Jorge I. Cerdá. "Nt_STM: A step forward in Scanning Tunneling Microscopy (STM) simulations." Computer Physics Communications 183, no. 6 (June 2012): 1246–49. http://dx.doi.org/10.1016/j.cpc.2012.02.003.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

Rubio-Verdú, C., G. Sáenz-Arce, J. Martinez-Asencio, D. C. Milan, M. Moaied, J. J. Palacios, M. J. Caturla, and C. Untiedt. "Graphene flakes obtained by local electro-exfoliation of graphite with a STM tip." Physical Chemistry Chemical Physics 19, no. 11 (2017): 8061–68. http://dx.doi.org/10.1039/c6cp07236d.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

LI QUN-XIANG, YANG JIN-LONG, HOU JIAN-GUO, WANG KE-LIN, and ZHU QING-SHI. "THEORETICAL SIMULATIONS OF STM IMAGES FOR C60 WITH DIFFERENT ADSORBED ORIENTATIONS." Acta Physica Sinica 48, no. 8 (1999): 1477. http://dx.doi.org/10.7498/aps.48.1477.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Máca, F., W. A. Hofer, and J. Redinger. "Ab initio simulations and STM-images for Co/Pt(110) surfaces." Surface Science 482-485 (June 2001): 844–49. http://dx.doi.org/10.1016/s0039-6028(01)00741-5.

Full text

APA, Harvard, Vancouver, ISO, and other styles

11

Ošťádal, I., P. Kocán, J. Mysliveček, and P. Sobotík. "Ag/Si(111)-(7×7) Heteroepitaxy—STM Experiment and KMC Simulations." Czechoslovak Journal of Physics 53, no. 1 (January 2003): 41–48. http://dx.doi.org/10.1023/a:1022493503321.

Full text

APA, Harvard, Vancouver, ISO, and other styles

12

Czech, Barbara, and Barbara Stankiewicz. "The Na-adsorbed Ge(001) surface: Structure and STM image simulations." Applied Surface Science 254, no. 14 (May 2008): 4279–85. http://dx.doi.org/10.1016/j.apsusc.2008.01.009.

Full text

APA, Harvard, Vancouver, ISO, and other styles

13

Stankiewicz, B. "Simulations of iodine adsorbed Ge(001) surface and its STM images." Applied Surface Science 254, no. 14 (May 2008): 4380–85. http://dx.doi.org/10.1016/j.apsusc.2008.01.055.

Full text

APA, Harvard, Vancouver, ISO, and other styles

14

Allongue, Philippe, and Jérôme Kasparian. "Monte-Carlo Simulations of Si Etching: Comparison with in-situ STM images." Microscopy Microanalysis Microstructures 5, no. 4-6 (1994): 257–67. http://dx.doi.org/10.1051/mmm:0199400504-6025700.

Full text

APA, Harvard, Vancouver, ISO, and other styles

15

Littenberg-Tobias, Joshua, Elizabeth Borneman, and Justin Reich. "Measuring Equity-Promoting Behaviors in Digital Teaching Simulations: A Topic Modeling Approach." AERA Open 7 (January 2021): 233285842110456. http://dx.doi.org/10.1177/23328584211045685.

Full text

Abstract:

Diversity, equity, and inclusion (DEI) issues are urgent in education. We developed and evaluated a massive open online course ( N = 963) with embedded equity simulations that attempted to equip educators with equity teaching practices. Applying a structural topic model (STM)—a type of natural language processing (NLP)—we examined how participants with different equity attitudes responded in simulations. Over a sequence of four simulations, the simulation behavior of participants with less equitable beliefs converged to be more similar with the simulated behavior of participants with more equitable beliefs ( ES [effect size] = 1.08 SD). This finding was corroborated by overall changes in equity mindsets ( ES = 0.88 SD) and changed in self-reported equity-promoting practices ( ES = 0.32 SD). Digital simulations when combined with NLP offer a compelling approach to both teaching about DEI topics and formatively assessing learner behavior in large-scale learning environments.

APA, Harvard, Vancouver, ISO, and other styles

16

Tuluce Demiray, Seyma, Hasan Bulut, and Fethi Bin Muhammad Belgacem. "Sumudu Transform Method for Analytical Solutions of Fractional Type Ordinary Differential Equations." Mathematical Problems in Engineering 2015 (2015): 1–6. http://dx.doi.org/10.1155/2015/131690.

Full text

Abstract:

We make use of the so-called Sumudu transform method (STM), a type of ordinary differential equations with both integer and noninteger order derivative. Firstly, we give the properties of STM, and then we directly apply it to fractional type ordinary differential equations, both homogeneous and inhomogeneous ones. We obtain exact solutions of fractional type ordinary differential equations, both homogeneous and inhomogeneous, by using STM. We present some numerical simulations of the obtained solutions and exhibit two-dimensional graphics by means of Mathematica tools. The method used here is highly efficient, powerful, and confidential tool in terms of finding exact solutions.

APA, Harvard, Vancouver, ISO, and other styles

17

Kilina, Svetlana, Dzmitry A. Yarotski, A. Alec Talin, Sergei Tretiak, Antoinette J. Taylor, and Alexander V. Balatsky. "Unveiling Stability Criteria of DNA-Carbon Nanotubes Constructs by Scanning Tunneling Microscopy and Computational Modeling." Journal of Drug Delivery 2011 (March 20, 2011): 1–9. http://dx.doi.org/10.1155/2011/415621.

Full text

Abstract:

We present a combined approach that relies on computational simulations and scanning tunneling microscopy (STM) measurements to reveal morphological properties and stability criteria of carbon nanotube-DNA (CNT-DNA) constructs. Application of STM allows direct observation of very stable CNT-DNA hybrid structures with the well-defined DNA wrapping angle of 63.4° and a coiling period of 3.3 nm. Using force field simulations, we determine how the DNA-CNT binding energy depends on the sequence and binding geometry of a single strand DNA. This dependence allows us to quantitatively characterize the stability of a hybrid structure with an optimal π-stacking between DNA nucleotides and the tube surface and better interpret STM data. Our simulations clearly demonstrate the existence of a very stable DNA binding geometry for (6,5) CNT as evidenced by the presence of a well-defined minimum in the binding energy as a function of an angle between DNA strand and the nanotube chiral vector. This novel approach demonstrates the feasibility of CNT-DNA geometry studies with subnanometer resolution and paves the way towards complete characterization of the structural and electronic properties of drug-delivering systems based on DNA-CNT hybrids as a function of DNA sequence and a nanotube chirality.

APA, Harvard, Vancouver, ISO, and other styles

18

Qin, Yuan, Yingying Yang, Man Yao, Xiaowan Xue, Xudong Wang, Hao Huang, Ting Chen, Dong Wang, and Lijun Wan. "Self-assembly of an oligo(p-phenylenevinylene)-based molecule on an HOPG surface: insights from multi-scale simulation and STM observation." RSC Advances 8, no. 56 (2018): 31868–73. http://dx.doi.org/10.1039/c8ra05477k.

Full text

Abstract:

DFT and MD simulations together with STM investigation were perfomed to study the weak interactions and structural stability of an oligo(p-phenylenevinylene)-based molecule on highly oriented pyrolytic graphite surface at different temperatures.

APA, Harvard, Vancouver, ISO, and other styles

19

Minns, Charles K., and Brian J. Shuter. "A semi-mechanistic seasonal temperature-profile model (STM) for the period of stratification in dimictic lakes." Canadian Journal of Fisheries and Aquatic Sciences 70, no. 2 (February 2013): 169–81. http://dx.doi.org/10.1139/cjfas-2012-0253.

Full text

Abstract:

A semi-mechanistic seasonal temperature-profile model (STM) for stratified lakes was successfully tested with six Ontario data sets. The STM has eight parameters: the days of year for the start and end of stratification and the midsummer surface temperature peak ([Formula: see text]); the temperature at the onset and end of stratification and [Formula: see text]; the seasonal development of the thermocline depth (two parameters); and the steepness of the depth transition from epilimnion to hypolimnion. The STM was fitted using nonlinear least squares with R2 ranging from 0.91 to 0.99 and root mean square errors of 0.80 to 1.42 °C. Residuals were evenly distributed with respect to date and depth with 69.4% to 95.9% ± 1.0 °C. On average, observed-estimated temperature differences range from –0.24 to –0.03 °C and +0.16 to +0.37 °C for estimated temperatures of 5 and 25 °C, respectively. Simulations with daily data sets showed the STM fit was insensitive to reductions in the length of sampling duration and sampling frequency. Several STM parameters were well-estimated by published equations based on morphometric, climatic, and location variables.

APA, Harvard, Vancouver, ISO, and other styles

20

Zou, Yimin, Bin Tu, Lanlan Yu, Yongfang Zheng, Yuchen Lin, Wendi Luo, Yanlian Yang, Qiaojun Fang, and Chen Wang. "Peptide conformation and oligomerization characteristics of surface-mediated assemblies revealed by molecular dynamics simulations and scanning tunneling microscopy." RSC Advances 9, no. 70 (2019): 41345–50. http://dx.doi.org/10.1039/c9ra09320f.

Full text

Abstract:

The characteristics of peptide conformations in both solution and surface-bound states, using poly-glycine as a model structure, are analyzed by using molecular dynamics (MD) simulations and scanning tunneling microscopy (STM).

APA, Harvard, Vancouver, ISO, and other styles

21

Hwang, Jiyoon, Denis Krylov, Robbie Elbertse, Sangwon Yoon, Taehong Ahn, Jeongmin Oh, Lei Fang, et al. "Development of a scanning tunneling microscope for variable temperature electron spin resonance." Review of Scientific Instruments 93, no. 9 (September 1, 2022): 093703. http://dx.doi.org/10.1063/5.0096081.

Full text

Abstract:

Recent advances in improving the spectroscopic energy resolution in scanning tunneling microscopy (STM) have been achieved by integrating electron spin resonance (ESR) with STM. Here, we demonstrate the design and performance of a homebuilt STM capable of ESR at temperatures ranging from 1 to 10 K. The STM is incorporated with a homebuilt Joule–Thomson refrigerator and a two-axis vector magnet. Our STM design allows for the deposition of atoms and molecules directly into the cold STM, eliminating the need to extract the sample for deposition. In addition, we adopt two methods to apply radio-frequency (RF) voltages to the tunnel junction: the early design of wiring to the STM tip directly and a more recent idea to use an RF antenna. Direct comparisons of ESR results measured using the two methods and simulations of electric field distribution around the tunnel junction show that, despite their different designs and capacitive coupling to the tunnel junction, there is no discernible difference in the driving and detection of ESR. Furthermore, at a magnetic field of ∼1.6 T, we observe ESR signals (near 40 GHz) sustained up to 10 K, which is the highest temperature for ESR-STM measurement reported to date, to the best of our knowledge. Although the ESR intensity exponentially decreases with increasing temperature, our ESR-STM system with low noise at the tunnel junction allows us to measure weak ESR signals with intensities of a few fA. Our new design of an ESR-STM system, which is operational in a large frequency and temperature range, can broaden the use of ESR spectroscopy in STM and enable the simple modification of existing STM systems, which will hopefully accelerate a generalized use of ESR-STM.

APA, Harvard, Vancouver, ISO, and other styles

22

Slawig, Diana, Leo Rizzi, Tom Rothe, Jörg Schuster, and Christoph Tegenkamp. "Anisotropic transport properties of graphene-based conductor materials." Journal of Materials Science 56, no. 26 (June 17, 2021): 14624–31. http://dx.doi.org/10.1007/s10853-021-06231-3.

Full text

Abstract:

AbstractWe analyzed nanographite-based materials in a combined study including experimental analysis via 4-point probe STM and simulation to provide a complete picture of microscopic and macroscopic properties of the material. The two- and three-dimensional transport regimes were determined and evaluated regarding the anisotropy of the conductivity. The experimental results yield the full macroscopic conductivity tensor. Microstructural simulations are used to map those macroscopic properties to the microscopic building blocks of the sample. By combining those two, we present a coherent and comprehensive description of the electrical material parameters across several length scales.

APA, Harvard, Vancouver, ISO, and other styles

23

van Vörden, Dennis, Ben Wortmann, Nico Schmidt, Manfred Lange, Roberto Robles, Lothar Brendel, Christian A. Bobisch, and Rolf Möller. "Following the steps of a reaction by direct imaging of many individual molecules." Chemical Communications 52, no. 49 (2016): 7711–14. http://dx.doi.org/10.1039/c6cc02959k.

Full text

Abstract:

Upon heating FeOEP-Cl reacts to FeTBP in many individual steps. STM can be used to distinguish the individual intermediate states and in combination with numerical simulations the reaction rates and activation energies can be calculated.

APA, Harvard, Vancouver, ISO, and other styles

24

Trandafir, Anamaria, G. Dan Pantoş, and Adelina Ilie. "Borazatruxenes as precursors for hybrid C-BN 2D molecular networks." Nanoscale 14, no. 5 (2022): 1929–43. http://dx.doi.org/10.1039/d1nr07194g.

Full text

Abstract:

A C-BN, low symmetry, chiral 2D network forms from tribromo-borazatruxenes on Au(111) by hierarchical H assembly of homodimer building blocks (shown by STM/DFT simulations). Na atom trapping/adsorption engenders anisotropic charge transport therein.

APA, Harvard, Vancouver, ISO, and other styles

25

Mándi, Gábor, Norbert Nagy, and Krisztián Palotás. "Arbitrary tip orientation in STM simulations: 3D WKB theory and application to W(110)." Journal of Physics: Condensed Matter 25, no. 44 (October 11, 2013): 445009. http://dx.doi.org/10.1088/0953-8984/25/44/445009.

Full text

APA, Harvard, Vancouver, ISO, and other styles

26

Mahmood, Ayyaz, Xingming Zeng, Awais Siddique Saleemi, Kum-Yi Cheng, and Shern-Long Lee. "Electric-field-induced supramolecular phase transitions at the liquid/solid interface: cat-assembly from solvent additives." Chemical Communications 56, no. 62 (2020): 8790–93. http://dx.doi.org/10.1039/d0cc01670e.

Full text

Abstract:

The electrically triggered phase transformations of trimesic acid can be efficiently promoted to occur in an environment where trace levels of a highly polar solvent additive are present at the liquid/solid interface, as revealed by STM and DFT simulations.

APA, Harvard, Vancouver, ISO, and other styles

27

Liu, Xiao-Yan, Jing-Wen Cao, Xiao-Ling Qin, Xu-Liang Zhu, Xu-Hao Yu, Xue-Chun Wang, Xiao-Qing Yuan, Yu-He Liu, Yong Wang, and Peng Zhang. "A Computational Validation of Water Molecules Adsorption on an NaCl Surface." Crystals 11, no. 6 (May 28, 2021): 610. http://dx.doi.org/10.3390/cryst11060610.

Full text

Abstract:

It was reported that a scanning tunneling microscopy (STM) study observed the adsorption geometry of a water monomer and a tetramer on NaCl(100) film. Based on first-principles density functional theory (DFT), the adsorption behavior of water on the NaCl surface was simulated with CASTEP code. The results showed that the water monomer almost lay on the NaCl(001) surface with one O–H bond tilted slightly downward. This was quite different from the STM observations. In fact, the experimental observation was influenced by the Au(111) substrate, which showed an upright form. A recent report on observations of two-dimensional ice structure on Au(111) substrate verified our simulations. However, the water tetramer formed a stable quadrate structure on the surface, which was consistent with observation. The intermolecular hydrogen bonds present more strength than surface adsorption. The simulations presented a clearer picture than experimental observations.

APA, Harvard, Vancouver, ISO, and other styles

28

ROBINSON, M. C., A. J. SLAVIN, and K. DE'BELL. "A STUDY OF THE DIFFUSION OF Pb ON THE Au(111) SURFACE BY STM AND EAM-MD SIMULATIONS." Surface Review and Letters 06, no. 05 (October 1999): 793–800. http://dx.doi.org/10.1142/s0218625x99000810.

Full text

Abstract:

Surface reconstructions often result in novel growth morphologies, and are therefore of potential technological interest. The Au(111) surface will reconstruct into the [Formula: see text] "herringbone" structure. Low coverages (up to 0.3 monolayers) have been studied with scanning tunneling microscopy (STM) at room temperature, to determine the impact of the reconstruction on diffusion and thin film growth. The same system has been studied using embedded-atom model molecular dynamics (EAM-MD). These simulations, in addition to providing morphological information, permit qualitative comparison of diffusion phenomena. Experimental results indicate that initial sites for Pb adsorption are located at the herringbone kinks. For higher coverages, Pb prefers hcp and fcc stacking regions, avoiding the herringbone ridges. The reconstruction is removed for some coverage between 0.05 and 0.2 monolayers. STM and EAM results will be compared.

APA, Harvard, Vancouver, ISO, and other styles

29

Lawes, Patrick, Mauro Boero, Rabei Barhoumi, Svetlana Klyatskaya, Mario Ruben, and Jean-Pierre Bucher. "Hierarchical Self-Assembly and Conformation of Tb Double-Decker Molecular Magnets: Experiment and Molecular Dynamics." Nanomaterials 13, no. 15 (August 1, 2023): 2232. http://dx.doi.org/10.3390/nano13152232.

Full text

Abstract:

Nanostructures, fabricated by locating molecular building blocks in well-defined positions, for example, on a lattice, are ideal platforms for studying atomic-scale quantum effects. In this context, STM data obtained from self-assembled Bis(phthalocyaninato) Terbium (III) (TbPc2) single-molecule magnets on various substrates have raised questions about the conformation of the TbPc2 molecules within the lattice. In order to address this issue, molecular dynamics simulations were carried out on a 2D assembly of TbPc2 molecules. The calculations are in excellent agreement with the experiment, and thus improve our understanding of the self-assembly process. In particular, the calculated electron density of the molecular assembly compares well with STM contrast of self-assembled TbPc2 on Au(111), simultaneously providing the conformation of the two Pc ligands of the individual double-decker molecule. This approach proves valuable in the identification of the STM contrast of LnPc2 layers and could be used in similar cases where it is difficult to interpret the STM images of an assembly of molecular complexes.

APA, Harvard, Vancouver, ISO, and other styles

30

Bodek, Lukasz, Mads Engelund, Aleksandra Cebrat, and Bartosz Such. "Adsorption behavior of tin phthalocyanine onto the (110) face of rutile TiO2." Beilstein Journal of Nanotechnology 11 (May 26, 2020): 821–28. http://dx.doi.org/10.3762/bjnano.11.67.

Full text

Abstract:

The adsorption behavior of tin phthalocyanine (SnPc) molecules on rutile TiO2(110) was studied by scanning tunneling microscopy (STM). Low-temperature STM measurements of single molecules reveal the coexistence of two conformations of molecules on the TiO2 surface. Density functional theory-based simulations (DFT) indicate that the difference originates from the position of the tin atom protruding from the molecule plane. The irreversible switching of Sn-up molecules into the Sn-down conformation was observed either after sample annealing at 200 °C or as a result of tip-induced manipulation. Room-temperature measurements conducted for a coverage of close to a monolayer showed no tendency for molecular arrangement.

APA, Harvard, Vancouver, ISO, and other styles

31

Hou, J. G., and Kedong Wang. "Study of single molecules and their assemblies by scanning tunneling microscopy." Pure and Applied Chemistry 78, no. 5 (January 1, 2006): 905–33. http://dx.doi.org/10.1351/pac200678050905.

Full text

Abstract:

The recent rapid advances in nanotechnology, especially those based on molecules, are due in large part to our newly acquired abilities to measure and manipulate individual molecules and their assemblies. Among all the approaches for the study of single molecules, scanning tunneling microscopy (STM) is unique and powerful owing to its ability to accurately probe and control single molecules. High-resolution spatial imaging combined with scanning tunneling spectroscopy (STS) helps scientists investigate and resolve many chemical and physical problems at the molecular level. In this paper, we review our recent studies of single molecules and their assemblies by combining STM experiments and theoretical simulations based on the density functional theory (DFT).

APA, Harvard, Vancouver, ISO, and other styles

32

Baud, Stéphanie, Xavier Bouju, Christophe Ramseyer, and Hao Tang. "Atomic diffusion inside a STM junction: simulations by kinetic Monte Carlo coupled to tunneling current calculations." Surface Science 523, no. 3 (January 2003): 267–78. http://dx.doi.org/10.1016/s0039-6028(02)02439-1.

Full text

APA, Harvard, Vancouver, ISO, and other styles

33

Matsushige, Kazumi. "Structural Evaluation and Molecular Control of Vacuum-Evaporated Organic Thin Films." MRS Bulletin 20, no. 6 (June 1995): 26–31. http://dx.doi.org/10.1557/s0883769400036940.

Full text

Abstract:

Recently, organic molecules and their complexes with inorganic or metallic materials have drawn many researchers' interest as candidate materials for nanoscale electronic devices of the next generation, especially since Carter's proposal on molecular electronic devices (MEDs) with the functions of gating, switching, memory, etc. in one molecule. However, in order to build such nanoscopic organic electronic devices to replace conventional silicon-based inorganic devices, one must determine how to produce such nanoscale devices and to recognize the electronic states of a single molecule.The scanning tunneling microscope (STM) developed by G. Binning and H. Rohrer made it possible to visualize atoms and molecules in real space under various atmospheres. In addition, STMs can be used as nanoscopic tools for manipulation of individual atoms and molecules, thus realizing MEDs and nanotechnology.In this article, we present our recent achievements concerning the STM as well as in situ x-ray diffraction studies on the molecular structure of ultrathin films prepared by vacuum evaporation. STM observations with atomic resolution reveal the mechanism of nuclei formation and the crystal-growth process in organic molecules. Computer simulations based on STM images of polar organic molecules with electronic dipoles have elucidated the role of electronic interaction for their aggregation structures.Also, nanometer-sized molecular memory can be created by applying an electronic pulse to the evaporated organic films through the STM tip. Furthermore, we discuss the principle of a newly developed in situ total reflection x-ray diffraction (TRXD) apparatus and its application to the evaluation of crystal structure and molecular orientation in organic thin films during the evaporation process, particularly in regard to the role of the substrate, that is, epitaxial growth on organic molecular crystals.

APA, Harvard, Vancouver, ISO, and other styles

34

Tasif, Tahsinul Haque, and Tarek A. Elgohary. "An Adaptive Analytic Continuation Method for Computing the Perturbed Two-Body Problem State Transition Matrix." Journal of the Astronautical Sciences 67, no. 4 (November 16, 2020): 1412–44. http://dx.doi.org/10.1007/s40295-020-00238-9.

Full text

Abstract:

AbstractIn this work, the Taylor series based technique, Analytic Continuation is implemented to develop a method for the computation of the gravity and drag perturbed State Transition Matrix (STM) incorporating adaptive time steps and expansion order. Analytic Continuation has been developed for the two-body problem based on two scalar variables f and gp and their higher order time derivatives using Leibniz rule. The method has been proven to be very precise and efficient in trajectory propagation. The method is expanded to include the computation of the STM for the perturbed two-body problem. Leibniz product rule is used to compute the partials for the recursive formulas and an arbitrary order Taylor series is used to compute the STM. Four types of orbits, LEO, MEO, GTO and HEO, are presented and the simulations are run for 10 orbit periods. The accuracy of the STM is evaluated via RMS error for the unperturbed cases, symplectic check for the gravity perturbed cases and error propagation for the gravity and drag perturbed orbits. The results are compared against analytical and high order numerical solvers (ODE45, ODE113 and ODE87) in terms of accuracy. The results show that the method maintains double-precision accuracy for all test cases and 1-2 orders of magnitude improvement in linear prediction results compared to ODE87. The present approach is simple, adaptive and can readily be expanded to compute the full spherical harmonics gravity perturbations as well as the higher order state transition tensors.

APA, Harvard, Vancouver, ISO, and other styles

35

Czekala, Piotr T., Chiara Panosetti, Haiping Lin, and Werner A. Hofer. "van der Waals corrected DFT study of high coverage benzene adsorptions on Si(100) surface and STM simulations." Surface Science 621 (March 2014): 152–61. http://dx.doi.org/10.1016/j.susc.2013.10.017.

Full text

APA, Harvard, Vancouver, ISO, and other styles

36

Shimomura, M., T. Abukawa, M. Higa, M. Nakamura, S. M. Shivaprasad, H. W. Yeom, S. Suzuki, S. Sato, J. Tani, and S. Kono. "The Overlayer Structure on the Si(001)-(2×3)-Ag Surface Determined by X-ray Photoelectron Diffraction." Surface Review and Letters 05, no. 05 (October 1998): 953–58. http://dx.doi.org/10.1142/s0218625x98001286.

Full text

Abstract:

X-ray photoelectron diffraction (XPD) patterns of Ag 3d electrons from a single domain Si(001)-(2×3)-Ag surface were examined. Single scattering cluster and multiple scattering cluster simulations of the Ag 3d XPD patterns indicate an overlayer that contains four Ag atoms aligned almost linearly along the threefold direction in the unit cell on the Si(001) surface. The four-Ag-atom arrangement is discussed in the light of other information obtained by STM, LEEM and photoemission studies, finding it very feasible.

APA, Harvard, Vancouver, ISO, and other styles

37

Xu, Tingting, Xiubin Yang, Zongqiang Fu, Mo Wu, and Suining Gao. "A Staring Tracking Measurement Method of Resident Space Objects Based on the Star Tacker." Photonics 10, no. 3 (March 9, 2023): 288. http://dx.doi.org/10.3390/photonics10030288.

Full text

Abstract:

Measuring resident space objects (RSOs) by star trackers has become a research hotspot in space situational awareness. However, the arc length measured by star trackers is too short to complete the high-precision orbit determination of the RSO. In this paper, a staring–tracking measurement (STM) method is proposed to obtain a sufficiently long arc. Firstly, the three-axis attitude calculation model of the satellite is established for tracking RSOs during the staring process. Secondly, an observation method of the RSO location is proposed based on the principle of the angular distance invariance and the imaging mapping function of the star tracker. Finally, the numerical simulations and the ground experiment were conducted to verify the proposed algorithm. Simulation results show that the acquisition time of the measurable arcs is longer than 6 min, and the accuracy of the declination and the ascension can meet the standard for RSO orbit determination. The physical experiment shows that the acquisition time is consistent with that in the simulation. Our work provides a new idea for the realization of high-precision space-based optical measurement.

APA, Harvard, Vancouver, ISO, and other styles

38

TAMURA, Sanae, and Nobuyuki KOURA. "An In situ Study of Zinc Electrodeposition in a Nano-scale by Using Electrochemical STM Observations and Computer Simulations." Denki Kagaku oyobi Kogyo Butsuri Kagaku 62, no. 6 (June 5, 1994): 483–88. http://dx.doi.org/10.5796/electrochemistry.62.483.

Full text

APA, Harvard, Vancouver, ISO, and other styles

39

Herman, Aleksander. "Toward Mechanosynthesis of Diamondoid Structures: VIII. Quantum-Chemical Molecular Dynamics Simulations of Hexagonal Silicon-IV Structure Synthesis with STM." Journal of Computational and Theoretical Nanoscience 8, no. 10 (October 1, 2011): 1982–85. http://dx.doi.org/10.1166/jctn.2011.1913.

Full text

APA, Harvard, Vancouver, ISO, and other styles

40

Diniz, Ginetom S., Edson Vernek, and George B. Martins. "Band Polarization Effect on the Kondo State in a Zigzag Silicene Nanoribbon." Nanomaterials 12, no. 9 (April 27, 2022): 1480. http://dx.doi.org/10.3390/nano12091480.

Full text

Abstract:

Using the Numerical Renormalization Group method, we study the properties of a quantum impurity coupled to a zigzag silicene nanoribbon (ZSNR) that is subjected to the action of a magnetic field applied in a generic direction. We propose a simulation of what a scanning tunneling microscope will see when investigating the Kondo peak of a magnetic impurity coupled to the metallic edge of this topologically non-trivial nanoribbon. This system is subjected to an external magnetic field that polarizes the host much more strongly than the impurity. Thus, we are indirectly analyzing the ZSNR polarization through the STM analysis of the fate of the Kondo state subjected to the influence of the polarized conduction electron band. Our numerical simulations demonstrate that the spin-orbit-coupling-generated band polarization anisotropy is strong enough to have a qualitative effect on the Kondo peak for magnetic fields applied along different directions, suggesting that this contrast could be experimentally detected.

APA, Harvard, Vancouver, ISO, and other styles

41

PUTUNGAN, DARWIN B., HENRY J. RAMOS, FENG-CHUAN CHUANG, and MARVIN A. ALBAO. "MODELING OF CO-DEPOSITION OF INDIUM AND TIN ON SILICON(100): A KINETIC MONTE CARLO STUDY." International Journal of Modern Physics B 25, no. 14 (June 10, 2011): 1889–98. http://dx.doi.org/10.1142/s0217979211100941.

Full text

Abstract:

A growth model for co-deposition of Sn and In on Si (100) at room-temperature was simulated using Kinetic Monte Carlo methods to shed light on the chemical selectivity and lack of dimer ordering seen in [Jure et al., Appl. Surf. Sci.162, 638 (2000)], a Scanning Tunneling Microscopy (STM) study. In this work, the experimental observation that the number of mixed In – Sn dimers is unaffected even when the relative flux rates are adjusted to favor In over Sn (by 100:1) — a manifestation of some sort of chemical selectivity — was investigated. Our simulations reveal that this phenomenon is ultimately related to the fact that the number of Sn -terminated chains is largely unaffected by the relative flux rate. Finally, we found that the attraction between metal dimers (whether of the same or different species) within a Si dimer row has only negligible effect on the apparent lack of dimer ordering seen in the STM study. Instead, dimer ordering is controlled by the detachment barriers in dimer-terminated islands.

APA, Harvard, Vancouver, ISO, and other styles

42

Chetchotisak, Panatchai, Jaruek Teerawong, Danaipong Chetchotsak, and Sukit Yindeesuk. "Efficiency Factors for Reinforced Concrete Deep Beams: Part 2 - Code Calibration." Advanced Materials Research 931-932 (May 2014): 514–19. http://dx.doi.org/10.4028/www.scientific.net/amr.931-932.514.

Full text

Abstract:

This paper presents the limit state shear design formulas for both normal and high-strength reinforced concrete deep beams using strut-and-tie model (STM). The proposed equations are based on the STMs with six state-of-the-art efficiency factors. These STMs were improved by correcting the bias and quantifying the scatter using a Bayesian parameter estimation method. The statistical parameters of material properties, dimensions, and the accuracy of design equations are considered to develop the resistance models obtained by Monte Carlo simulations. The reliability analysis is performed to determine the strength reduction factors. The calculated values of strength reduction factors are proposed for each of the considered efficiency factors.

APA, Harvard, Vancouver, ISO, and other styles

43

Malarczyk, Mateusz, Mateusz Zychlewicz, Radoslaw Stanislawski, and Marcin Kaminski. "Low-Cost Implementation of an Adaptive Neural Network Controller for a Drive with an Elastic Shaft." Signals 4, no. 1 (January 9, 2023): 56–72. http://dx.doi.org/10.3390/signals4010003.

Full text

Abstract:

This paper deals with the implementation of an adaptive speed controller applied for two electrical machines coupled by a long shaft. The two main parts of the study are the synthesis of the neural adaptive controller and hardware implementation using a low-cost system based on an STM Discovery board. The framework between the control system, the power converters, and the motors is established with an ARM device. A radial basis function neural network (RBFNN) is used as an adaptive speed controller. The net coefficients are updated (online mode) to ensure high dynamics of the system and correct work under disturbance. The results contain transients achieved in simulations and experimental tests.

APA, Harvard, Vancouver, ISO, and other styles

44

Herman, A. "Toward mechanosynthesis of diamondoid structures: II. Quantum-chemical molecular dynamics simulations of mechanosynthesis on an hydrogenated Si(111) surface with STM." Modelling and Simulation in Materials Science and Engineering 7, no. 1 (January 1, 1999): 43–58. http://dx.doi.org/10.1088/0965-0393/7/1/004.

Full text

APA, Harvard, Vancouver, ISO, and other styles

45

Kocán, Pavel, Pavel Sobotı́k, Ivan Ošt'ádal, and Miroslav Kotrla. "Self-organized growth of Ag islands on Si(111)-(7×7)-optimization of an STM experiment by means of KMC simulations." Surface Science 566-568 (September 2004): 216–20. http://dx.doi.org/10.1016/j.susc.2004.06.133.

Full text

APA, Harvard, Vancouver, ISO, and other styles

46

Kong, De-Sheng, Shi-Ling Yuan, Yu-Xi Sun, and Zhang-Yu Yu. "Self-assembled monolayer of o-aminothiophenol on Fe(110) surface: a combined study by electrochemistry, in situ STM, and molecular simulations." Surface Science 573, no. 2 (December 2004): 272–83. http://dx.doi.org/10.1016/j.susc.2004.09.042.

Full text

APA, Harvard, Vancouver, ISO, and other styles

47

Nieckarz, Karolina, and Damian Nieckarz. "Monte Carlo Simulations of the Metal-Directed Self-Assembly of Y-Shaped Positional Isomers." Crystals 12, no. 4 (April 1, 2022): 492. http://dx.doi.org/10.3390/cryst12040492.

Full text

Abstract:

The rational fabrication of low-dimensional materials with a well-defined topology and functions is an incredibly important aspect of nanotechnology. In particular, the on-surface synthesis (OSS) methods based on the bottom-up approach enable a facile construction of sophisticated molecular architectures unattainable by traditional methods of wet chemistry. Among such supramolecular constructs, especially interesting are the surface-supported metal–organic networks (SMONs), composed of low-coordinated metal atoms and π-aromatic bridging linkers. In this work, the lattice Monte Carlo (MC) simulation technique was used to extract the chemical information encoded in a family of Y-shaped positional isomers co-adsorbed with trivalent metal atoms on a flat metallic surface with (111) geometry. Depending on the intramolecular distribution of active centers (within the simulated molecular bricks, we observed a metal-directed self-assembly of two-dimensional (2D) openwork patterns, aperiodic mosaics, and metal–organic ladders. The obtained theoretical findings could be especially relevant for the scanning tunneling microscopy (STM) experimentalists interested in a surface-assisted construction of complex nanomaterials stabilized by directional coordination bonds.

APA, Harvard, Vancouver, ISO, and other styles

48

Quezada-López, Eberth A., Zhehao Ge, Takashi Taniguchi, Kenji Watanabe, Frédéric Joucken, and Jairo Velasco. "Comprehensive Electrostatic Modeling of Exposed Quantum Dots in Graphene/Hexagonal Boron Nitride Heterostructures." Nanomaterials 10, no. 6 (June 12, 2020): 1154. http://dx.doi.org/10.3390/nano10061154.

Full text

Abstract:

Recent experimental advancements have enabled the creation of tunable localized electrostatic potentials in graphene/hexagonal boron nitride (hBN) heterostructures without concealing the graphene surface. These potentials corral graphene electrons yielding systems akin to electrostatically defined quantum dots (QDs). The spectroscopic characterization of these exposed QDs with the scanning tunneling microscope (STM) revealed intriguing resonances that are consistent with a tunneling probability of 100% across the QD walls. This effect, known as Klein tunneling, is emblematic of relativistic particles, underscoring the uniqueness of these graphene QDs. Despite the advancements with electrostatically defined graphene QDs, a complete understanding of their spectroscopic features still remains elusive. In this study, we address this lapse in knowledge by comprehensively considering the electrostatic environment of exposed graphene QDs. We then implement these considerations into tight binding calculations to enable simulations of the graphene QD local density of states. We find that the inclusion of the STM tip’s electrostatics in conjunction with that of the underlying hBN charges reproduces all of the experimentally resolved spectroscopic features. Our work provides an effective approach for modeling the electrostatics of exposed graphene QDs. The methods discussed here can be applied to other electrostatically defined QD systems that are also exposed.

APA, Harvard, Vancouver, ISO, and other styles

49

Mutombo, P., A. M. Kiss, A. Berkó, and V. Cháb. "Atomic geometry and STM simulations of a TiO2(1 1 0) surface upon formation of an oxygen vacancy and a hydroxyl group." Modelling and Simulation in Materials Science and Engineering 16, no. 2 (February 12, 2008): 025007. http://dx.doi.org/10.1088/0965-0393/16/2/025007.

Full text

APA, Harvard, Vancouver, ISO, and other styles

50

Erdélyi, Z., Christophe Girardeaux, Dezső L. Beke, Jean Bernardini, Alain Portavoce, G. L. Katona, Z. Balogh, and Andree Rolland. "Thin Film Dissolution into Semi-Infinite Substrates: Surprising Interface Kinetics and Dissolution Modes." Defect and Diffusion Forum 289-292 (April 2009): 573–85. http://dx.doi.org/10.4028/www.scientific.net/ddf.289-292.573.

Full text

Abstract:

Depending on the thermodynamic, structural and diffusion properties of the system, a thin deposit dissolves into a substrate by different mechanisms. In this communication these different behaviours, investigated by surface analytical techniques (AES, XPS, STM, UPS, etc) [ - ], are reviewed. The experiments were also supported by computer simulations. The obtained results are compared and it is summarized how different parameters influence the dissolution of a thin film in a substrate. Furthermore, it is show that i) the volume dissolution kinetics is different on the atomic-/nano-scale than on the microscopic scale due to the diffusion asymmetry ii) the volume and GB diffusion in one measurement can be separated and iii) pure (C-kinetic) GB diffusivities can be determined from thin film kinetics measurements performed under adequate conditions.

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!