Relevant bibliographies by topics / 020406 Surfaces and Structural Properties of Condensed Matter

Academic literature on the topic '020406 Surfaces and Structural Properties of Condensed Matter'

Author: Grafiati
Published: 10 December 2022
Last updated: 28 January 2023

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Journal articles on the topic "020406 Surfaces and Structural Properties of Condensed Matter"

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Fritz, Torsten, Michael Hoffmann, Thomas Schmitz-hübsch, and Karl Leo. "Heteroepitaxially Grown Overlayers of PTCDA on Au(111) Surfaces: Structural and Fluorescence Properties." Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 314, no. 1 (May 1998): 279–84. http://dx.doi.org/10.1080/10587259808042488.

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Proietti, M. G., J. Garcia, J. Chaboy, F. Morier-Genoud, and D. Martin. "Structural properties of GaAs oxide layers grown on polished (100) surfaces." Journal of Physics: Condensed Matter 5, no. 9 (March 1, 1993): 1229–38. http://dx.doi.org/10.1088/0953-8984/5/9/008.

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Lu, Z., M. J. Walock, P. R. LeClair, G. J. Mankey, P. Mani, D. Lott, F. Klose, et al. "Structural and magnetic properties of epitaxial Fe25Pt75." Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 27, no. 4 (July 2009): 770–75. http://dx.doi.org/10.1116/1.3143668.

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Sensoy, Mehmet Gokhan, Daniele Toffoli, and Hande Ustunel. "Structural and electronic properties of bulk and low-index surfaces of zincblende PtC." Journal of Physics: Condensed Matter 29, no. 12 (February 8, 2017): 125002. http://dx.doi.org/10.1088/1361-648x/aa57e3.

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El Helou, M., E. Lietke, J. Helzel, W. Heimbrodt, and G. Witte. "Structural and optical properties of pentacene films grown on differently oriented ZnO surfaces." Journal of Physics: Condensed Matter 24, no. 44 (October 10, 2012): 445012. http://dx.doi.org/10.1088/0953-8984/24/44/445012.

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Gunnella, R., J. Y. Veuillen, A. Berthet, and T. A. Nguyen Tan. "Electronic and Structural Properties of the 6H–SiC(0001) Surfaces." Surface Review and Letters 05, no. 01 (February 1998): 187–91. http://dx.doi.org/10.1142/s0218625x98000359.

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The atomic and electronic structures of clean 6H–SiC(0001) surfaces have been investigated by means of LEED and photoelectron spectroscopies (XPS, XAES and UPS). First a clean surface having the (3 × 3) structure has been obtained by heating the sample at 800°C under a low Si flux. Successive annealings in UHV have produced two other stable reconstructions, namely the [Formula: see text] and the [Formula: see text]. The various surface structures show distinctive core-level and Auger line shapes, which are characteristic of the composition of the surface layer, as checked by the XPS intensities by two different excitation sources (Mg Kα and Zr Mζ), while UPS spectra show sizeable differences in the character of the valence bands. The evaluation of the atomic composition is able to sort between different models proposed in the literature.
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Rutter, G. M., J. N. Crain, N. P. Guisinger, P. N. First, and J. A. Stroscio. "Structural and electronic properties of bilayer epitaxial graphene." Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 26, no. 4 (July 2008): 938–43. http://dx.doi.org/10.1116/1.2944257.

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Wiegart, Lutz, Bernd Struth, Metin Tolan, and Pierre Terech. "Thermodynamic and Structural Properties of Phospholipid Langmuir Monolayers on Hydrosol Surfaces." Langmuir 21, no. 16 (August 2005): 7349–57. http://dx.doi.org/10.1021/la050478m.

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Han, Dong, Mohamed Bouras, Claude Botella, Aziz Benamrouche, Bruno Canut, Geneviève Grenet, Guillaume Saint-Girons, and Romain Bachelet. "Structural properties of strained epitaxial La1+δCrO3 thin films." Journal of Vacuum Science & Technology A 37, no. 2 (March 2019): 021512. http://dx.doi.org/10.1116/1.5082185.

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Xu, Fengting T., Sean M. Thaler, and John A. Barnard. "Structural and mechanical properties of dendrimer-mediated thin films." Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 23, no. 4 (July 2005): 1234–37. http://dx.doi.org/10.1116/1.1861934.

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Dissertations / Theses on the topic "020406 Surfaces and Structural Properties of Condensed Matter"

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Bekele, Selemon. "Structural and Dynamical Properties of Water and Polymers at Surfaces and Interfaces: A Molecular Dynamics Investigation." University of Akron / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=akron1530040420616781.

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Regoutz, Anna. "Structural and electronic properties of metal oxides." Thesis, University of Oxford, 2014. http://ora.ox.ac.uk/objects/uuid:6f425890-b211-4b35-b438-b8de18f7ae64.

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Metal oxides are of immense technological importance. Their wide variety of structural and electronic characteristics leads to a flexibility unrivalled by other groups of materials. However, there is still much debate about the fundamental properties of some of the most widely used oxides, including TiO2 and In2O3. This work presents high quality, in-depth characterisation of these two oxides in pure and doped form, including soft and hard X-ray photoelectron spectroscopy and X-ray diffraction. Bulk samples as well as thin film samples were prepared analysed. For the preparation of thin films a high quality sol-gel dip-coating method was developed, which resulted in epitaxial films. In more detail the organisation of the thesis is as follows: Chapter 1 provides an introduction to key ideas related to metal oxides and presents the metal oxides investigated in this thesis, In2O3, Ga2O3, Tl2O3, TiO2, and SnO2. Chapter 2 presents background information and Chapter 3 gives the practical details of the experimental techniques employed. Chapters 4 presents reciprocal space maps of MBE-grown In2O3 thin films and nanorods on YSZ substrates. Chapters 5 and 6 investigate the doping of In2O3 bulk samples with gallium and thallium and introduce a range of solid state characterisation techniques. Chapter 7 describes the development of a dip-coating sol-gel method for the growth of thin films of TiO2 and shows 3D reciprocal space maps of the resulting films. Chapter 8 concerns hard x-ray photoelectron spectroscopy of undoped and Sn-doped TiO2. Chapter 9 interconnects previous chapters by presenting 2D reciprocal space maps of nano structured epitaxial samples of In2O3 grown by the newly developed sol-gel based method. Chapter 10 concludes this thesis with a summary of the results.
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Ford, Michael E. "Atomistic modelling of iron with magnetic analytic Bond-Order Potentials." Thesis, University of Oxford, 2013. http://ora.ox.ac.uk/objects/uuid:c824a315-4038-4777-8487-08358cb9f569.

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The development of interatomic potentials for magnetic transition metals, and particularly for iron, is difficult, yet it is also necessary for large-scale atomistic simulations of industrially important iron and steel alloys. The magnetism of iron is especially important as it is responsible for many of the element's unique physical properties -- its bcc ground state structure, its high-temperature phase transitions, and the mobility of its self-interstitial atom (SIA) defects. Yet an accurate description of itinerant magnetism within a real-space formalism is particularly challenging and existing interatomic potentials based on the Embedded Atom Method are suited only for studies of near-equilibrium ferritic iron, due to their restricted functional forms. For this work, the magnetic analytic Bond-Order Potential (BOP) method has been implemented in full to test the convergence properties in both collinear and non-collinear magnetic iron. The known problems with negative densities of states (DOS) are addressed by assessing various possible definitions for the bandwidth and by including the damping factors adapted from the Kernel Polynomial Method. A 9-moment approximation is found to be sufficient to reproduce the major structural energy differences observed in Density Functional Theory (DFT) and Tight Binding (TB) reference calculations, as well as the volume dependence of the atomic magnetic moments. The Bain path connecting bcc and fcc structures and the formation energy of mono- and divacancies are also described well at this level of approximation. Other quantities such as the high-spin/low-spin transition in fcc iron, the bcc elastic constants and the SIA formation energies converge more slowly towards the TB reference data. The theory of non-collinear magnetism within analytic BOP is extended as required for a practical implementation. The spin-rotational behaviour of the energy is shown to converge more slowly than the collinear bulk energy differences, and there are specific problems at low angles of rotation where the magnitude of the magnetic moment depends sensitively on the detailed structure of the local DOS. Issues of charge transfer in relation to magnetic defects are discussed, as well as inadequacies in the underlying d-electron TB model.
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(5930045), Cory A. Milligan. "FUNDAMENTAL INSIGHTS OF PLANAR AND SUPPORTED CATALYSTS." Thesis, 2019.

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A fundamental understanding of heterogeneous catalysis requires analysis of model catalytic surfaces in tandem with complex technical catalysts. This work was divided in three areas, 1- preparation and characterization of model surfaces synthesized by vapor deposition techniques, 2- kinetic evaluation of model catalysts for formic acid decomposition and dry methane reforming, 3- characterization and kinetic evaluation of technical catalysts for the water gas shift reaction.

In the first project, model PdZn intermetallic surfaces, a relevant catalyst for propane dehydrogenation, were prepared using an ALD approach. In this work, model surfaces were synthesized by exposing Pd(111) and Pd(100) surfaces to diethylzinc at ca. 10-6 mbar. Several different surface structures were identified by careful control of the deposition temperature of the substrate. Modifications in the adsorption properties of these surfaces towards carbon monoxide and propylene coincided with the structure of the PdZn surface layer.

In the second project, formic acid decomposition kinetics were evaluated on model Pt catalysts. Formic acid decomposition was found to be structure-insensitive on Pt(111), Pt(100), and a polycrystalline foil under standard reaction conditions. CO selectivity remained < 1% for conversions <10%. Additionally, inverse Pd-Zr model catalysts were prepared by ALD of zirconium-t-butoxide (ZTB). Depending on treatment conditions, either ZrOxHy or ZrO2 overlayers or Zr as sub-nanometer clusters could be obtained. The activity of the model catalyst surface towards dry reforming of methane if the initial state of the zirconium is metallic.

In the third project, Au/Fe3O4 heterodimer catalysts were characterized for their thermal stability. In-situ TEM and XPS characterization demonstrates that the gold nanoparticles transform into gold thin films that wet the Fe3O4 surface as the reduction of the oxide proceeds. DFT calculations show that the adhesion energy between the Au film is increased on a partially reduced Fe3O4 surface. Additionally, Pt/Nb2CTx catalysts were characterized and kinetics evaluated for the water gas shift reaction. XPS and TEM characterization indicates that a Pt-Nb surface alloy is formed under moderate reduction temperatures, 350OC. Water-gas shift reaction kinetics reveal that the alloy-MXene interface exhibit high H2O activation ability compared to a non-reducible support or bulk niobium carbide.

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(10726149), Weirong Yuan. "PHASE CHANGE AND ABLATION STUDY OF METALS BY FEMTOSECOND LASER IRRADIATION USING HYBRID TTM/MD SIMULATIONS." Thesis, 2021.

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The interactions of femtosecond lasers with gold targets were investigated with a numerical method combining molecular dynamics (MD) and the two-temperature model (TTM). Previous works using MD-TTM method did not consider all the thermodynamic parameters and the interatomic potential dependent of the electron temperature simultaneously. Therefore, we developed a LAMMPS function to achieve this. To accurately capture the physics behind the interactions, we also included the electron blast force from free electron pressure and the modified Fourier law with steep electron temperature gradient in our model. For bulk materials, a stress non-reflecting and heat conducting boundary is added between the atomistic and the continuum parts. The modified boundary force in our study greatly reduces the reflectivity of the atomistic-continuum boundary compared with its original form. Our model is the first to consider all these factors simultaneously and manage to predict four femtosecond laser ablation phenomena observed in the experiments.

In this dissertation, the thermodynamic parameters in the two-temperature model were extensively explored. We considered three different approaches to calculate these parameters: namely interpolation, ab initio calculation, and analytical expression. We found that simple interpolation between solid state and plasma state could lead to high level of inaccuracy, especially for electron thermal conductivity. Therefore, ab initio calculation and analytical expression were used for the calculation of the thermodynamic parameters in more advanced studies. The effects of electron thermal conductivity and electron-phonon coupling factor on electron and lattice temperatures were analyzed.

Our studies considered electron temperature dependent (ETD) and electron temperature independent (ETI) interatomic potentials. The ETI interatomic potential is easier to implement and therefore it is used in our phase change study to investigate the effects of target thickness on melting. Homogeneous melting occurred for thin films, while melting can be observed through the movement of the solid-liquid interface in thick or bulk materials. However, the ETI potential overestimated the bond strength at high temperatures. Therefore, ablation process was studied with the ETD potential. Three ablation mechanisms were found in our simulations at different laser fluences. Short nonthermal ablation was only observed at the ablation threshold. With increasing laser fluence, spallation was then seen. In high laser fluence regime, phase explosion occurred on the surface and coexisted with spallation.

Lastly, we researched on the effects of the delay time between two femtosecond laser pulses. Various delay times did not have much influence on melting depth. In low laser fluence regime, with increasing delay time, the target went through nonthermal ablation, to spallation and to no ablation. In high laser fluence regime, longer delay time encouraged phase explosion while suppressed spallation.
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