Small molecule activation by transition metals
Title: Small molecule activation by transition metals
SNIC Project: SNIC 2014/1-8
Project Type: SNAC Medium
Principal Investigator: Marten Ahlquist <mahlquist@theochem.kth.se>
Affiliation: KTH Royal Institute of Technology
Duration: 2014-02-01 – 2015-02-01
Classification: 10407 10404 10402
Homepage: http://www.theochem.kth.se/people/mahlquist/
Keywords:

Abstract

Activation of small molecules such as methane, water and carbon dioxide is important for applications related to renewable energy. We use density functional theory to study transition metals that are capable of converting these small molecules to other forms in order to e.g. store solar energy in the form of a chemical bond.