Invited Session: Materials for Energy: Predicting the Properties of Solid/Electrolyte Interfaces from First Principles

Presentations

• Electronic properties of semiconductor-water interfaces: Predictions from \textit{ab-initio} molecular dynamics and many-body perturbation theory

  COFFEE_KLATCH · Invited

  March 2, 2015, 2:30 PM – March 2, 2015, 3:06 PM

  Authors

  • Tuan Anh Pham

    • Lawrence Livermore National Laboratory

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• First-principles simulations of charge storage at electrochemical interfaces in supercapacitors

  COFFEE_KLATCH · Invited

  March 2, 2015, 3:06 PM – March 2, 2015, 3:42 PM

  Authors

  • Brandon Wood

    • Lawrence Livermore National Laboratory

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• Ab initio joint density-functional theory of solvated electrodes, with model and explicit solvation

  COFFEE_KLATCH · Invited

  March 2, 2015, 3:42 PM – March 2, 2015, 4:18 PM

  Authors

  • Tomas Arias

    • Department of Physics, Cornell University, Ithaca, NY 14853
    • Cornell Univ
    • Cornell University

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• Link between photocatalytic water splitting efficiency and surface acidity in GaN and SrTiO3

  COFFEE_KLATCH · Invited

  March 2, 2015, 4:18 PM – March 2, 2015, 4:54 PM

  Authors

  • Marivi Fernandez-Serra

    • Stony Brook University
    • Department of Physics and Astronomy, Stony Brook University
    • State Univ of NY- Stony Brook
    • Physics & Astronomy department, Stony Brook University. Stony Brook, NY

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• First-Principles Approach to Energy Level Alignment at Aqueous Semiconductor Interfaces

  COFFEE_KLATCH · Invited

  March 2, 2015, 4:54 PM – March 2, 2015, 5:30 PM

  Authors

  • Mark Hybertsen

    • CFN, Brookhaven National Labs,
    • Center for Functional Nanomaterials, Brookhaven National Laboratory
    • Brookhaven National Laboratory

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