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

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‚ÄČeV. 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.
Authors:
 [1] ;  [2] ; ;  [1] ; ;  [3]
  1. Strong-Field and Ultrafast Photonics Lab, Institute of Laser Engineering, Beijing University of Technology, Beijing 100124 (China)
  2. (China)
  3. College of Physics and Communication Electronics, Jiangxi Normal University, Nanchang 330022 (China)
Publication Date:
OSTI Identifier:
22492726
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 118; Journal Issue: 12; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
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