On the adsorptive properties of silicon carbide: gas molecule adsorption

Abstract

On the bases of two different approaches (solid-state and quantum-chemical) adsorption of nitrogen atom and ammonia molecules on SiC substrate is considered. In the solid-state approach with the use of the Haldane- Anderson density of state model for the 4 H- and 6 H-SiC polytypes, it is shown that the binding energies for N and N₂ are 6 and 3 eV correspondingly. In the quantum-chemical approach with the use of the surface molecule model for N the binding energy values are 6 eV for adsorption on C-face and 4 eV for adsorption on Si-face. It is demonstrated also that the charge transfer between adsorbate and substrate for all the cases considered are negligible.

Keywords:

• Haldane-Anderson model
• surface molecule model
• charge transfer
• adsorption energy

Acknowledgments

Authors are indebted to S.A. Kukushkin for the proposal of this work and helpful discussion.

Disclosure statement

The authors declare that they have no competing interests.

Additional information

Funding

13th International Conference Advanced Cardon NanoSructures.