Search Results - "Thiel, Patricia"
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Surface energies, adhesion energies, and exfoliation energies relevant to copper-graphene and copper-graphite systems
Published in Surface science (01-07-2019)“…•DFT generates precise surface and adhesion energies in Cu + graphite/graphene systems.•PBEsol is effective for Cu, and optB88 for graphite/graphene and Cu-C…”
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Reshaping, Intermixing, and Coarsening for Metallic Nanocrystals: Nonequilibrium Statistical Mechanical and Coarse-Grained Modeling
Published in Chemical reviews (12-06-2019)“…Self-assembly of supported 2D or 3D nanocrystals (NCs) by vacuum deposition and of 3D NCs by solution-phase synthesis (with possible subsequent transfer to a…”
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Shapes of Fe nanocrystals encapsulated at the graphite surface
Published in New journal of physics (01-02-2020)“…We describe and analyze in detail the shapes of Fe islands encapsulated under the top graphene layers in graphite. Shapes are interrogated using scanning…”
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Mechanism of Metal Intercalation under Graphene through Small Vacancy Defects
Published in Journal of physical chemistry. C (01-04-2021)“…Metal intercalation under graphene has attracted extensive experimental and theoretical research because of its capability to manipulate the electronic…”
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Ab Initio Thermodynamics and Kinetics for Coalescence of Two-Dimensional Nanoislands and Nanopits on Metal (100) Surfaces
Published in Journal of physical chemistry. C (29-09-2016)“…Postdeposition coalescence or sintering of pairs of low-strain two-dimensional nanoislands and nanopits on unreconstructed metal (100) surfaces is typically…”
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Fundamentals of Au(111) Surface Dynamics: Coarsening of Two-Dimensional Au Islands
Published in Journal of physical chemistry. C (02-04-2020)“…Au(111) surfaces play a central role in many applications, yet studies of fundamental aspects of their dynamics are limited. Thus, using scanning tunneling…”
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Formation of Multilayer Cu Islands Embedded beneath the Surface of Graphite: Characterization and Fundamental Insights
Published in Journal of physical chemistry. C (01-03-2018)“…We present an extensive experimental study of the conditions under which Cu forms encapsulated islands under the top surface layers of graphite, as a result of…”
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Non-equilibrium growth of metal clusters on a layered material: Cu on MoS2
Published in New journal of physics (01-05-2020)“…We use a variety of experimental techniques to characterize Cu clusters on bulk MoS2 formed via physical vapor deposition of Cu in ultrahigh vacuum, at…”
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Defect-mediated, thermally-activated encapsulation of metals at the surface of graphite
Published in Carbon (New York) (01-02-2018)“…We show that 3 metals – Dy, Ru, and Cu – can form multilayer intercalated (encapsulated) islands at the graphite (0001) surface if 2 specific conditions are…”
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Quasicrystal surfaces
Published in Annual review of physical chemistry (01-01-2008)“…Studies of ordered, yet nonperiodic, metallic alloys known as quasicrystals have generated exciting questions and fundamental insights about the relationship…”
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Coinage Metal–Sulfur Complexes: Stability on Metal(111) Surfaces and in the Gas Phase
Published in Journal of physical chemistry. C (23-05-2019)“…We provide a comprehensive theoretical assessment at the level of density functional theory (DFT) of the stability of various coinage metal–sulfur complexes,…”
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Manipulation of Dirac cones in intercalated epitaxial graphene
Published in Carbon (New York) (01-10-2017)“…Graphene is an intriguing material in view of its unique Dirac quasi-particles, and the manipulation of its electronic structure is important in material…”
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Sulfur Atoms Adsorbed on Cu(100) at Low Coverage: Characterization and Stability against Complexation
Published in The journal of physical chemistry. B (18-01-2018)“…Using scanning tunneling microscopy, we characterize the size and bias-dependent shape of sulfur atoms on Cu(100) at low coverage (below 0.1 monolayers) and…”
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14
Transition metals on the (0001) surface of graphite: Fundamental aspects of adsorption, diffusion, and morphology
Published in Progress in surface science (01-08-2014)“…In this article, we review basic information about the interaction of transition metal atoms with the (0001) surface of graphite, especially fundamental…”
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Enhanced Nanostructure Dynamics on Au(111) with Adsorbed Sulfur due to Au−S Complex Formation
Published in Chemphyschem (16-02-2021)“…Chemisorbed species can enhance the fluxional dynamics of nanostructured metal surfaces which has implications for applications such as catalysis. Scanning…”
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Aperiodic order coming of age: from inorganic materials to dynamic protein superstructures
Published in Acta crystallographica. Section A, Foundations and advances (01-03-2019)“…A collection of articles from presentations at the Aperiodic 2018 conference is introduced. A collection of articles from presentations at the Aperiodic 2018…”
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Modeling of Diffusivity for 2D Vacancy Nanopits and Comparison with 2D Adatom Nanoislands on Metal(100) Surfaces Including Analysis for Ag(100)
Published in Journal of physical chemistry. C (31-05-2018)“…Diffusion coefficients, D N , for 2D vacancy nanopits are compared with those for 2D homoepitaxial adatom nanoislands on metal(100) surfaces, focusing on the…”
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Intermetallic NaAu2 as a Heterogeneous Catalyst for Low-Temperature CO Oxidation
Published in Journal of the American Chemical Society (03-07-2013)“…The enhanced stability and modified electronic structure of intermetallic compounds provide discovery of superior catalysts for chemical conversions with high…”
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Identification of an AgS2 Complex on Ag(110)
Published in Scientific reports (27-12-2019)“…Adsorbed sulfur has been investigated on the Ag(110) surface at two different coverages, 0.02 and 0.25 monolayers. At the lower coverage, only sulfur adatoms…”
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Coarsening of Two-Dimensional Nanoclusters on Metal Surfaces
Published in Journal of physical chemistry. C (02-04-2009)“…We describe experimental observations and theoretical analysis of the coarsening of distributions of two-dimensional nanoclusters, either adatom islands or…”
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