Surfaces, Interfaces & Materials

Presentations

• On Chip Sensing of Biochemical Molecules with GaAs PIN Diodes

  ORAL

  March 9, 2023, 2:30 PM – March 9, 2023, 2:42 PM

  Presenters

  • Jonathon M. Cain

    Colgate University

  Authors

  • Jonathon M. Cain

    Colgate University

  • Abdel F. Isakovic

    Colgate University

  • Christopher Alpha

    Cornell University

  • Tamador Alkhidir

    Khalifa University

  • Deborah L Gater

    University College London

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• First-principles study of second-order nonlinear susceptibility of water adsorption layer on Pt(111) surface

  ORAL

  March 9, 2023, 2:42 PM – March 9, 2023, 2:54 PM

  Presenters

  • Jun Haruyama

    The Univ. of Tokyo, The University of Tokyo

  Authors

  • Jun Haruyama

    The Univ. of Tokyo, The University of Tokyo

  • Toshiki Sugimoto

    Institute for Molecular Science

  • Osamu Sugino

    The Univ. of Tokyo, The University of Tokyo, Univ of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba, 277-0882 Japan

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• First-principles investigations of interfacial effect induced by spontaneous polarization of ABO₃ on magnetic anisotropy energy of Fe layer

  ORAL

  March 9, 2023, 2:54 PM – March 9, 2023, 3:06 PM

  Presenters

  • Dameul Jeong

    Kyung Hee University

  Authors

  • Dameul Jeong

    Kyung Hee University

  • SEOUNGHUN KANG

    Oak Ridge National Lab, Oak Ridge National Laboratory

  • Young-Kyun Kwon

    Kyung Hee Univ - Seoul

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• Synthesis and Exploration of Heusler Intermetallics as Potential Catalysts

  ORAL

  March 9, 2023, 3:06 PM – March 9, 2023, 3:18 PM

  Presenters

  • Md. Fahel Bin Noor

    Missouri State University

  Authors

  • Md. Fahel Bin Noor

    Missouri State University

  • Nusrat Yasmin

    MISSOURI STATE UNIVERSITY

  • Tiglet Besara

    Missouri State University

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• Temperature dependence of nuclear quadrupole resonances in ²³⁵U-depleted Cs₂UO₂Cl₄

  ORAL

  March 9, 2023, 3:18 PM – March 9, 2023, 3:30 PM

  Presenters

  • Sejun Park

    Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory

  Authors

  • Sejun Park

    Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory

  • Eric D Walter

    Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory

  • Robert G Surbella

    National Security Directorate, Pacific Northwest National Laboratory

  • Chuck Z Soderquist

    Energy and Environment Directorate, Pacific Northwest National Laboratory

  • Gabriel B Hall

    Energy and Environment Directorate, Pacific Northwest National Laboratory

  • Sergey I Sinkov

    Energy and Environment Directorate, Pacific Northwest National Laboratory

  • Herman Cho

    Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory

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• Pd₆, Ag₈, and Pd₆/Ag₈ particles supported on pristine graphene-like cluster: A DFT cluster approach

  ORAL

  March 9, 2023, 3:30 PM – March 9, 2023, 3:42 PM

  Presenters

  • Carlos Quintanar

    Universidad Nacional Autonoma de Mexico

  Authors

  • Carlos Quintanar

    Universidad Nacional Autonoma de Mexico

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• Ab Initio Calculation of Surface-Controlled Photocatalysis in Multiple-Phase BiVO₄

  ORAL

  March 9, 2023, 3:42 PM – March 9, 2023, 3:54 PM

  Publication: J. Phys. Chem. C 2022, 126, 22, 9541–9550 https://doi.org/10.1021/acs.jpcc.2c01936

  Presenters

  • Jia Shi

    University of Science and Technology Beijing, University of Central Florida

  Authors

  • Wenyu Zhang

    Luminar Technologies Inc., Orlando, Florida 32826, United States

  • Qiang Gu

    University of Science and Technology Beijing, Physics, Beijing, China, Institute of Theoretical Physics, University of Science and Technology Beijing, Beijing 100083, China

  • Jia Shi

    University of Science and Technology Beijing, University of Central Florida

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• Isosteric heat of adsorption for carbon dioxide on Biochar

  ORAL

  March 9, 2023, 3:54 PM – March 9, 2023, 4:06 PM

  Presenters

  • Saikat Talapatra

    Southern Illinois University Carbondale

  Authors

  • Saikat Talapatra

    Southern Illinois University Carbondale

  • Brice Russell

    SIUC

  • Nathanial Smith

    SIUC

  • Xingmao Ma

    Texas A&M

  • Aldo Migone

    SIUC, Southern Illinois University Carbondale

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• Elucidating Trivalent Ion Adsorption at Floating Carboxylic Acid Monolayers

  ORAL

  March 9, 2023, 4:06 PM – March 9, 2023, 4:18 PM

  Presenters

  • Ahmet Uysal

    Argonne National Laboratory

  Authors

  • Ahmet Uysal

    Argonne National Laboratory

  • Srikanth Nayak

    Argonne National Laboratory

  • Raju R Kumal

    Argonne National Laboratory

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• First-principles simulations of vibrational spectra of electrified Si/water interfaces

  ORAL

  March 9, 2023, 4:18 PM – March 9, 2023, 4:30 PM

  Presenters

  • Zifan Ye

    University of Chicago

  Authors

  • Zifan Ye

    University of Chicago

  • Giulia Galli

    University of Chicago, University of Chicago, Argonne National Laboratory, Pritzker School of Molecular Engineering and Department of Chemistry, University of Chicago, IL, USA; Materials Science Division, Argonne National Laboratory, IL, USA, Argonne National Laboratory and University of Chicago

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• Realizing High Thermoelectric Conversion Efficiency in p-type AgSbTe₂ Alloys

  ORAL

  March 9, 2023, 4:30 PM – March 9, 2023, 4:42 PM

  Publication: Thermoelectric Performance of Surface Engineered Copper Telluride Nanomaterials

  Presenters

  • YU ZHANG

    The Pennsylvania State University

  Authors

  • YU ZHANG

    The Pennsylvania State University

  • Bed Poudel

    Department of Materials Science and Engineering, Pennsylvania State University, Penn State University, The Pennsylvania State University, Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802, USA.

  • Amin Nozariasbmarz

    Pennsylvania State University, Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802, USA.

  • WENJIE LI

    Department of Materials Science and Engineering, Pennsylvania State University, Penn State University, The Pennsylvania State University

  • Andreu Cabot

    Catalonia Institute for Energy Research

  • Shashank Priya

    Department of Materials Science and Engineering, Pennsylvania State University, Penn State University, Penn State, The Pennsylvania University, Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802, USA.

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• Dispersion-induced non-Markovian effects for emission spectra of exciton-plasmon systems

  ORAL

  March 9, 2023, 4:42 PM – March 9, 2023, 4:54 PM

  Publication: Phys. Rev. B 105, 245411 (2022)

  Presenters

  • Tigran V Shahbazyan

    Jackson State University

  Authors

  • Tigran V Shahbazyan

    Jackson State University

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• Impact Synthesis of Prebiotic Organophosphoric Compounds in Schreibersite Materials

  ORAL

  March 9, 2023, 4:54 PM – March 9, 2023, 5:06 PM

  Publication: "First-Principles Surface Characterization and Water Adsorption of Fe3P Schreibersite" ACS Earth Space Chem. 2022, 6, 3, 512–520

  Presenters

  • RICCARDO DETTORI

    Lawrence Livermore National Laboratory

  Authors

  • RICCARDO DETTORI

    Lawrence Livermore National Laboratory

  View abstract →