Surfaces and Interfaces

Presentations

• Trivalent ion adsorption onto electrified graphene

  ORAL

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

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

  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, 12:54 PM – March 17, 2022, 1:06 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

  View abstract →

• Adsorption of Argon-Methane Mixture on Planar Graphite

  ORAL

  March 17, 2022, 1:06 PM – March 17, 2022, 1:18 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, 1:18 PM – March 17, 2022, 1:30 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, 1:30 PM – March 17, 2022, 1:42 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, 1:42 PM – March 17, 2022, 1:54 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, 1:54 PM – March 17, 2022, 2:06 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, 2:06 PM – March 17, 2022, 2:18 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, 2:18 PM – March 17, 2022, 2:30 PM

  Publication: Role of Nanoscale Surface Defects on Sn Adsorption and Diffusion Behavior on Oxidized Nb(100)<br>Rachael G. Farber, Sarah A. Willson, and S. J. Sibener<br>Invited Submission to the Special Topic "Commemorating the Career of Pat Thiel", J. Vac. Sci. Technol. A 39, 063212 (2021)<br>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, 2:30 PM – March 17, 2022, 2:42 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

  View abstract →

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

  ORAL

  March 17, 2022, 2:42 PM – March 17, 2022, 2:54 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, 2:54 PM – March 17, 2022, 3:06 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, 3:06 PM – March 17, 2022, 3:18 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 →