Chemical Physics of (Nano)Materials II

Presentations

• Solvents in molecular electronics: their role in the conductance of molecular junctions

  ORAL

  March 20, 2025, 11:00 AM – March 20, 2025, 11:12 AM

  Publication: Martinez-Garcia, A., de Ara, T., Pastor-Amat, L., Untiedt, C., Lombardi, E. B., Dednam, W., & Sabater, C. (2023). Unraveling the Interplay between Quantum Transport and Geometrical Conformations in Monocyclic Hydrocarbons' Molecular Junctions. The Journal of Physical Chemistry C, 127(48), 23303-23311.

  Presenters

  • Patricia Ferrer Alcaraz

    Universidad de Alicante

  Authors

  • Patricia Ferrer Alcaraz

    Universidad de Alicante

  View abstract →

• Abstract Withdrawn

  ORAL Withdrawn

  March 20, 2025, 11:12 AM – March 20, 2025, 11:24 AM

  View abstract →

• Characterization of Helicene Molecules for Molecular Electronics

  ORAL

  March 20, 2025, 11:24 AM – March 20, 2025, 11:36 AM

  Publication: T. de Ara et al. J. Phys. Chem. Lett. 2024, 15, 8343

  Presenters

  • Carlos Untiedt

    University of Alicante, Univeristy de Alicante

  Authors

  • Carlos Untiedt

    University of Alicante, Univeristy de Alicante

  • Carlos Sabater

    Univeristy de Alicante, University of Alicante

  • Tamara de Ara García

    University of Alicante

  • Andres Martinez Garcia

    Univeristy de Alicante

  • Herre Van der Zaant

    TU Delft

  • Bianca C. Baciu

    university of Alicante

  • Carlos Untiedt

    University of Alicante, Univeristy de Alicante

  • Alberto Guijarro

    University of Alicante

  View abstract →

• Thermal transport in molecular junctions: Design principles and simulations

  ORAL

  March 20, 2025, 11:36 AM – March 20, 2025, 11:48 AM

  Presenters

  • Jonathan J Wang

    University of Toronto

  Authors

  • Jonathan J Wang

    University of Toronto

  • Dvira Segal

    University of Toronto

  • Matthew Gerry

    University of Toronto

  • Joanna Li

    University of Toronto

  • Jie Gong

    Carnegie Mellon University

  • Alan J. H. McGaughey

    Carnegie Mellon University

  View abstract →

• Transition Matrix Monte Carlo Analysis of Methane Adsorption in IRMOF-8

  ORAL

  March 20, 2025, 11:48 AM – March 20, 2025, 12:00 PM

  Presenters

  • Anthony J Dorhauer

    University of Missouri

  Authors

  • Anthony J Dorhauer

    University of Missouri

  • Bartosz Mazur

    Wrocław Univ. of Sc. and Tech.

  • Lucyna Firlej

    University of Montpellier

  • Bogdan Kuchta

    Aix-Marseille University

  • Carlos Wexler

    University of Missouri, MU Physics and Astronomy, Materials Science and Engineering Institute

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• Ultrafast Electron Dynamics of Plasmonic Light Harvesting Studied by Femtosecond Time-Resolved X-ray Photoelectron Spectroscopy

  ORAL

  March 20, 2025, 12:00 PM – March 20, 2025, 12:12 PM

  Presenters

  • Oliver Gessner

    Lawrence Berkeley National Laboratory

  Authors

  • Oliver Gessner

    Lawrence Berkeley National Laboratory

  • Zachery Donnellan

    Lawrence Berkeley National Laboratory

  • Kin Fung Lai

    Lawrence Berkeley National Laboratory

  • Marieke Stapf

    TU Bergakademie Freiberg

  • Dmitrii Potorochin

    TU Bergakademie Freiberg; Deutsches Electronen-Synchrotron DESY

  • Nils Wind

    Deutsches Electronen-Synchrotron DESY; University of Hamburg

  • Dmytro Kutnyakhov

    Deutsches Electronen-Synchrotron DESY

  • Yvonne Joseph

    TU Bergakademie Freiberg

  • Lukas Wenthaus

    Deutsches Electronen-Synchrotron DESY

  • Wolfgang Eberhardt

    Deutsches Electronen-Synchrotron DESY

  • Serguei Molodtsov

    TU Bergakademie Freiberg; European XFEL GmbH

  • Friedrich Roth

    TU Bergakademie Freiberg

  • Jin Qian

    Lawrence Berkeley National Laboratory

  View abstract →

• Abstract Withdrawn

  ORAL Withdrawn

  March 20, 2025, 12:12 PM – March 20, 2025, 12:24 PM

  View abstract →

• How Strontium Titanate Nanoparticles' Atomic Surface Termination and Excited-State Carrier Distributions Influence their Photoactivity

  ORAL

  March 20, 2025, 12:24 PM – March 20, 2025, 12:36 PM

  Presenters

  • Levi D Palmer

    Caltech

  Authors

  • Levi D Palmer

    Caltech

  • Wonseok Lee

    California Institute of Technology, Caltech

  • Thomas E Gage

    Center for Nanoscale Materials, Argonne National Laboratory, Argonne National Laboratory

  • Scott K Cushing

    Caltech, California Institute of Technology

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• Ab initio Screening of MOFs: A Comparative Study of Exchange-Correlation Functionals and van der Waals Corrections

  ORAL

  March 20, 2025, 12:36 PM – March 20, 2025, 12:48 PM

  Presenters

  • Joshua Edzards

    University of Oldenburg

  Authors

  • Joshua Edzards

    University of Oldenburg

  • Holger-Dietrich Saßnick

    University of Oldenburg

  • Julia Santana Andreo

    University of Oldenburg

  • Caterina Cocchi

    University of Oldenburg

  View abstract →

• Computational discovery and characterization of MOFs for chemical sensors coupled with fiber optics.

  ORAL

  March 20, 2025, 12:48 PM – March 20, 2025, 1:00 PM

  Presenters

  • Rubén A Fritz

    Universidad de Santiago

  Authors

  • Rubén A Fritz

    Universidad de Santiago

  • Felipe Herrera

    Universidad de Santiago

  View abstract →

• Towards oriented deposition of 2D materials onto arbitrary substrates in high vacuum

  ORAL

  March 20, 2025, 1:00 PM – March 20, 2025, 1:12 PM

  Presenters

  • Sunghyun Kim

    University of Maryland, College Park

  Authors

  • Sunghyun Kim

    University of Maryland, College Park

  • Joyce E Coppock

    University of Maryland College Park, University of Maryland, College Park

  • Bruce E Kane

    Laboratory for Physical Sciences, 8050 Greenmead Dr., College Park, MD 20740, Laboratory for Physical Sciences

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• Mg-MOF-74: A Novel Material for Adsorption and Detection of Toxic

  ORAL

  March 20, 2025, 1:12 PM – March 20, 2025, 1:24 PM

  Presenters

  • Dipak Adhikari

    Tribhuvan University

  Authors

  • Dipak Adhikari

    Tribhuvan University

  • Ravi Karki

    Tribhuvan University

  • Kapil Adhikari

    Tribhuvan University

  • Nurapati Pantha

    Tribhuvan University

  View abstract →

• Revealing molecule-internal mechanisms to control phonon heat transport through single-molecule junctions by a genetic algorithm

  ORAL

  March 20, 2025, 1:24 PM – March 20, 2025, 1:36 PM

  Publication: Blaschke, M., & Pauly, F. (2023). Designing mechanosensitive molecules from molecular building blocks: A genetic algorithm-based approach.The Journal of Chemical Physics, 159(2).<br>Blaschke, M., & Pauly, F. (2024). Revealing molecule-internal mechanisms to control phonon heat transport through single-molecule junctions by a genetic algorithm. In preparation.

  Presenters

  • Matthias Blaschke

    University of Augsburg

  Authors

  • Matthias Blaschke

    University of Augsburg

  • Fabian Pauly

    University of Augsburg

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• Experiments on carbon accumulation on gold nanoparticles heated with a laser while levitated in an ion trap in high vacuum

  ORAL

  March 20, 2025, 1:36 PM – March 20, 2025, 1:48 PM

  Presenters

  • Joyce E Coppock

    University of Maryland College Park, University of Maryland, College Park

  Authors

  • Joyce E Coppock

    University of Maryland College Park, University of Maryland, College Park

  • Sunghyun Kim

    University of Maryland, College Park

  • Bruce E Kane

    Laboratory for Physical Sciences, 8050 Greenmead Dr., College Park, MD 20740, Laboratory for Physical Sciences

  View abstract →