Inverse Design, Development and Characterization of Catalytic Adsorbates at Semiconductor/Liquid Interfaces

Abstract

The collaborative team of Batista (Yale University), Kubiak (University of California, San Diego) and Lian (Emory University), including collaborations with Mauricio Cattaneo, Lisa Pfefferle, James Durrant, Eszter Barath, Gary Haller and Michael Graetzel over the past two years, made significant progress towards understanding fundamental aspects of catalytic systems at interfaces, including Re(I) and Mn(I) bipyridyl and Ni complexes for CO2 reduction and development of machine learning methods and in situ spectroelectrochemical sum frequency generation (SFG) techniques for studying catalytic materials. Each project involved an intimate combination of synthetic, electrochemical, computational, and spectroscopic techniques applied to gain mechanistic understanding of catalytic interfaces at the molecular level.

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Document Details

Document Type
Technical Report
Publication Date
Jul 20, 2021
Accession Number
AD1145905

Entities

People

  • Victor S Batista

Organizations

  • Yale University

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Adsorbates
  • Air Force Research Laboratories
  • Catalysis
  • Catalysts
  • Chemical Reactions
  • Chemical Synthesis
  • Chemistry
  • Density Functional Theory
  • Dynamics
  • Electric Fields
  • Electron Transfer
  • Liquids
  • Machine Learning
  • Magnetic Fields
  • Materials Science
  • Neural Networks
  • Physical Chemistry
  • Quantum Dots
  • Self Assembled Monolayers
  • Semiconductors
  • Spectra
  • Spectroscopy
  • Spin-Orbit Interaction

Readers

  • Electrochemical Engineering/ Fuel Cell Technologies
  • Research Science/Academic Research

Technology Areas

  • AI & ML
  • Microelectronics