Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces

Authors

Glenn Jones,

Felix Studt,

Frank Abild-Pedersen,

Jens K. Nørskov,

Thomas Bligaard

Year of publication

2011

Journal

Chemical Engineering Science

Issue

24

Volume

66

Starting page

6318

Ending page

6323

DOI

10.1016/j.ces.2011.02.050

Using density functional theory calculations we show that the adsorption energies for C2Hx-type adsorbates on transition metal surfaces scale with each other ac.

Keywords

Adsorption; Catalysis; Computational chemistry; Reaction engineering; Selectivity

Research Areas

Synthetic fuels and chemicals,

System scaling relations,

Theoretical method development,

Heterogeneous catalysis,

Funding sources

SUNCAT People

Frank Abild-Pedersen,

Jens K. Nørskov,

Thomas Bligaard