Density Functional Theory Study of Ethylene Carbonate Adsorption on the (0001) Surface of Aluminum Oxide α‑Al2O3

• Brian Ramogayana,
• David Santos-Carballal,
• Khomotso P. Maenetja,
• Nora H. de Leeuw,
• Phuti E. Ngoepe

Affiliations

Brian Ramogayana

Materials Modelling Centre, School of Physical and Mineral Sciences, University of Limpopo, Sovenga, South Africa

David Santos-Carballal

School of Chemistry, University of Leeds, Leeds, U.K.

Khomotso P. Maenetja

Materials Modelling Centre, School of Physical and Mineral Sciences, University of Limpopo, Sovenga, South Africa

Nora H. de Leeuw

School of Chemistry, University of Leeds, Leeds, U.K.

Phuti E. Ngoepe

Materials Modelling Centre, School of Physical and Mineral Sciences, University of Limpopo, Sovenga, South Africa