Challenges and Opportunities in Engineering the Electronic Structure of Single-Atom Catalysts

Controlling the electronic structure of transition-metal single-atom heterogeneous catalysts (SACs) is crucial to unlocking their full potential. The ability to do this with increasing precision offers a rational strategy to optimize processes associated with the adsorption and activation of reactive intermediates, charge transfer dynamics, and light absorption. While several methods have been proposed to alter the electronic characteristics of SACs, such as the oxidation state, band structure, orbital occupancy, and associated spin, the lack of a systematic approach to their application makes it difficult to control their effects. In this Perspective, we examine how the electronic configuration of SACs can be…

• NS
  National Science Foundation
• SN
  Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

  Award: 180544