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

Journal Article · Mon Sep 28 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4931057· OSTI ID:22492726

Liu, G. ^[1]; Song, H. Y. ^[1]; Xu, B.; Ouyang, C. Y. ^[2]

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1. Strong-Field and Ultrafast Photonics Lab, Institute of Laser Engineering, Beijing University of Technology, Beijing 100124 (China)
2. College of Physics and Communication Electronics, Jiangxi Normal University, Nanchang 330022 (China)

The O{sub 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{sub 2} and suggest the enhanced stability of germanene in oxygen atmosphere compared with silicene.

• OSTI ID: 22492726
• Journal Information: Journal of Applied Physics, Vol. 118, Issue 12; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ADSORPTION
DESORPTION
DISSOCIATION
GERMANENE
GERMANIUM OXIDES
OXYGEN
SILICENE
SURFACES
TEMPERATURE RANGE 0273-0400 K