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

  View abstract →

• 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.

  View abstract →

• 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

  View abstract →

• 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

  View abstract →

• 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

  View abstract →

• 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

  View abstract →

• 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

  View abstract →

• 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)
  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

  View abstract →

• 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

  View abstract →

• 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

  View abstract →

• 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 →