Rogachev, Li Publish Theoretical Chemistry Research for Energy Applications and Catalysis

Andrey Rogachev, assistant professor of chemistry, has recently published three articles in well-regarded journals. Rogachev’s research is multifaceted, with special focus on theoretical searches for new types of batteries, including how to improve the capacity of new Li-batteries, and theoretical investigation of reactive species such as SO2 and new early transition metal β-diketonates as precursors for mixed-metal oxide materials.

The articles are:

  • “Self-assembly of tetrareduced corannulene with mixed Li–Rb clusters: dynamic transformations, unique structures and record 7Li NMR shifts” in Chemical Science in January.
  • “Mixed-Valent, Heteroleptic Homometallic Diketonates as Templates for the Design of Volatile Heterometallic Precursors” in Chemical Science, accepted in February.
  • “SO2 – Yet Another Two-Faced Ligand” in Physical Chemistry Chemical Physics (PCCP) in January. Rogachev’s first-year graduate student Jingbai Li co-authored the article.

In recognition of the significance of his contribution, Li also was invited by the American Chemical Society (ACS) to present the research at the ACS National Meeting in Denver on Sunday, March 22 through Thursday, March 26, 2015. Li received the Fanta Award, named after the late chemistry professor Paul E. Fanta, to help him attend the conference.