Small molecule activation by transition metals

Dnr:

SNIC 2017/1-13

Type:

SNAC Medium

Principal Investigator:

Marten Ahlquist

Affiliation:

Kungliga Tekniska högskolan

Start Date:

2017-02-01

End Date:

2018-02-01

Primary Classification:

10407: Teoretisk kemi

Secondary Classification:

10404: Oorganisk kemi

Tertiary Classification:

10402: Fysikalisk kemi

Webpage:

https://www.kth.se/profile/ahlqui/

Allocation

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.