Surfaces and Interfaces

Presentations

• Trivalent ion adsorption onto electrified graphene

  ORAL

  March 17, 2022, 11:30 AM – March 17, 2022, 11:42 AM

  Publication: Amanda J. Carr, Sang Soo Lee, Ahmet Uysal. "Trivalent ion adsorption onto electrified graphene," Journal of Physics: Condensed Matter, submitted.

  Presenters

  • Amanda J Carr

    • Argonne National Laboratory

  Authors

  • Amanda J Carr

    • Argonne National Laboratory

  • Sang Soo Lee

    • Argonne National Laboratory

  • Ahmet Uysal

    • Argonne National Laboratory

  View abstract →

• Molecular modeling of the adsorption-induced expansion of graphene oxide frameworks with covalently bonded benzene-1,4-diboronic acid

  ORAL

  March 17, 2022, 11:42 AM – March 17, 2022, 11:54 AM

  Publication: [1] J. Schaeperkoetter, M. Connolly, Z. Buck, H. Taub, H. Kaiser, and C. Wexler, Adsorption-Induced Expansion of Graphene Oxide Frameworks: Observation by in Situ Neutron Diffraction. ACS Omega 4, 18668-18676 (2019). DOI:10.1021/acsomega.9b02589.

  Presenters

  • Carlos Wexler

    • University of Missouri

  Authors

  • Todd Lombardi

    • University of Missouri

  • Joseph Schaeperkoetter

    • University of Missouri

  • Alberto Albesa

    • Universidad Nacional de La Plata, Argentina

  • Carlos Wexler

    • University of Missouri

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• Molecular dynamics simulation of the adsorption of sodium dodecyl sulphate on single walled carbon nanotubes in aqueous solution

  ORAL

  March 17, 2022, 11:54 AM – March 17, 2022, 12:06 PM

  Publication: [1] Rosa D'Ambrosio, Ph.D. Dissertation, U. Montpellier, France, 2021.

  Presenters

  • Corey Valleroy

    • University of Missouri, USA

  Authors

  • Corey Valleroy

    • University of Missouri, USA

  • Eric Anglaret

    • Université de Montpellier, France

  • Lucyna Firlej

    • Université de Montpellier, France

  • Bogdan Kuchta

    • Université Aix-Marseille, France

  • Michael Roth

    • Scientific Games, Iowa, USA

  • Carlos Wexler

    • University of Missouri

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• Adsorption of Argon-Methane Mixture on Planar Graphite

  ORAL

  March 17, 2022, 12:06 PM – March 17, 2022, 12:18 PM

  Presenters

  • Saikat Talapatra

    • School of Physics and Applied Physics, Southern Illinois University Carbondale, IL-62901, USA.

  Authors

  • Brice Russell

    • School of Physics and Applied Physics, Southern Illinois University Carbondale, IL-62901, USA.

  • Aldo D Migone

    • School of Physics and Applied Physics, Southern Illinois University Carbondale, IL-62901, USA.

  • Saikat Talapatra

    • School of Physics and Applied Physics, Southern Illinois University Carbondale, IL-62901, USA.

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• Effect of surface polar groups in nanoporous carbon on the co-adsorption of methane and carbon dioxide

  ORAL

  March 17, 2022, 12:18 PM – March 17, 2022, 12:30 PM

  Presenters

  • Todd Lombardi

    • University of Missouri

  Authors

  • Todd Lombardi

    • University of Missouri

  • Joshua Miles

    • University of Missouri

  • Mahmoud Attia

    • University of Missouri

  • Kenedy Tabah

    • University of Missouri

  • Carlos Wexler

    • University of Missouri

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• The Effects of Ultra-High Vacuum on Surface Contamination

  ORAL

  March 17, 2022, 12:30 PM – March 17, 2022, 12:42 PM

  Presenters

  • Zhen Liu

    • Rice University

  Authors

  • Zhen Liu

    • Rice University

  • Youngsup Song

    • Lawrence Berkeley National Laboratory

  • Anoop Rajappan

    • Rice University

  • Evelyn N Wang

    • Massachusetts Institute of Technology

  • Daniel J Preston

    • Rice University

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• Towards Utilizing Multimodal Optimization to Search for Strontium Titanate Surface Structures

  ORAL

  March 17, 2022, 12:42 PM – March 17, 2022, 12:54 PM

  Presenters

  • Camden M Duy

    • James Madison University

  Authors

  • Camden M Duy

    • James Madison University

  • Nicholas Cheung

    • James Madison University

  • Chaitanya Kolluru

    • Argonne National Laboratory

  • Maria K Chan

    • Argonne National Laboratory

  • Dillon D Fong

    • Argonne National Laboratory

  • Kendra L Letchworth-Weaver

    • James Madison University

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• Numerical methods for the parametrization of the lattice generalized langevin equation: applications to surface desoprtion.

  ORAL

  March 17, 2022, 12:54 PM – March 17, 2022, 1:06 PM

  Presenters

  • Ardavan Farahvash

    • Massachusetts Institute of Technology

  Authors

  • Ardavan Farahvash

    • Massachusetts Institute of Technology

  • Mayank Agarwal

    • Brown University

  • Adam P Willard

    • Massachusetts Institute of Technology MIT

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• A multiscale approach towards additive discovery for natural gas hydrate inhibition and promotion

  ORAL

  March 17, 2022, 1:06 PM – March 17, 2022, 1:18 PM

  Presenters

  • Fernanda C Bononi

    • University of North Texas

  Authors

  • Fernanda C Bononi

    • University of North Texas

  • Oliviero Andreussi

    • University of North Texas

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• Visualization of Sn Adsorption and Diffusion Behavior on (3×1)-O/Nb(100) with Low and Moderate Defect Densities

  ORAL

  March 17, 2022, 1:18 PM – March 17, 2022, 1:30 PM

  Publication: Role of Nanoscale Surface Defects on Sn Adsorption and Diffusion Behavior on Oxidized Nb(100)
  Rachael G. Farber, Sarah A. Willson, and S. J. Sibener
  Invited Submission to the Special Topic "Commemorating the Career of Pat Thiel", J. Vac. Sci. Technol. A 39, 063212 (2021)
  https://doi.org/10.1116/6.0001374

  Presenters

  • Rachael G Farber

    • University of Chicago
    • University Of Chicago

  Authors

  • Rachael G Farber

    • University of Chicago
    • University Of Chicago

  • Sarah A Willson

    • University of Chicago

  • Steven J Sibener

    • University of Chicago

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• CO vibrational frequencies as probe of Pt local environment in Pt₁/CeO₂ single atom catalysts: First principles investigations

  ORAL

  March 17, 2022, 1:30 PM – March 17, 2022, 1:42 PM

  Presenters

  • Dave Austin

    • Department of Physics, Unviersity of Central Florida

  Authors

  • Dave Austin

    • Department of Physics, Unviersity of Central Florida

  • Duy Le

    • Department of Physics, University of Central Florida
    • University of Central Florida

  • Shaohua Xie

    • Department of Civil, Environmental, and Construction Engineering, University of Central Florida

  • Sampyo Hong

    • Division of Math and Physical Sciences, Brewton-Parker College

  • Fudong Liu

    • Department of Civil, Environmental, and Construction Engineering, University of Central Florida

  • Talat S Rahman

    • University of Central Florida
    • Department of Physics, University of Central Florida

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• When does surface polymorphism matter for the work function of organic/metal interfaces?

  ORAL

  March 17, 2022, 1:42 PM – March 17, 2022, 1:54 PM

  Publication: Jeindl et al., arXiv:2107.00560; Accepted at Applied Surface Science

  Presenters

  • Andreas Jeindl

    • Graz Univ of Technology
    • Graz University of Technology, Institute of Solid State Physics
    • Graz University of Technology

  Authors

  • Andreas Jeindl

    • Graz Univ of Technology
    • Graz University of Technology, Institute of Solid State Physics
    • Graz University of Technology

  • Lukas Hörmann

    • Graz University of Technology

  • Oliver T Hofmann

    • Graz University of Technology
    • Graz University of Technology, Institute of Solid State Physics
    • Graz Univ of Technology

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• The structure of water at interfaces through ab initio simulations of non-linear spectroscopy

  ORAL

  March 17, 2022, 1:54 PM – March 17, 2022, 2:06 PM

  Presenters

  • Alan M Lewis

    • Max Planck Institute for the Structure & Dynamics of Matter

  Authors

  • Alan M Lewis

    • Max Planck Institute for the Structure & Dynamics of Matter

  • Paolo Lazzaroni

    • Max Planck Institute for the Structure & Dynamics of Matter

  • Mariana Rossi

    • Max Planck Institute for the Structure & Dynamics of Matter

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• Fully Atomistic Modeling of Carbon Quantum Dots in Aqueous Solution

  ORAL

  March 17, 2022, 2:06 PM – March 17, 2022, 2:18 PM

  Presenters

  • Clarisse Basset

    • Aix-Marseille University, France

  Authors

  • Clarisse Basset

    • Aix-Marseille University, France

  • Bogdan Kuchta

    • Aix-Marseille University, France

  • Lucyna Firlej

    • Université de Montpellier, France

  • Michael Roth

    • Scientific Games, Iowa, USA

  • Carlos Wexler

    • University of Missouri

  View abstract →