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First-principles study of the stability of free-standing germanene in oxygen atmosphere (2015)

G. Liu, S. B. Liu, B. Xu, C. Y. Ouyang and H. Y. Song

American Institute of Physics (AIP)

In: Journal of Applied Physics

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Publication Date: 2015-09-24

Description: The O 2 dissociation and O atoms adsorption on free-standing germanene are studied by using first-principles calculations in this paper. Compared with the extremely active silicene in oxygen atmosphere, germanene is found to be less active due to an energy barrier for dissociation of about 0.57 eV. Moreover, the dissociated oxygen atom follows two opposite migration pathways on the germanene surface, which is quite different from the case of silicene. Furthermore, the migration and desorption of O atoms at room temperature are relatively difficult due to the strong Ge-O bonding, resulting in the formation of germanium oxides. Our results reveal the interplay between germanene and O 2 and suggest the enhanced stability of germanene in oxygen atmosphere compared with silicene.

Print ISSN: 0021-8979

Electronic ISSN: 1089-7550

Topics: Physics

Published by American Institute of Physics (AIP)

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