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Title: Oscillatory electrostatic potential on graphene induced by group IV element decoration

The structures and electronic properties of partial C, Si and Ge decorated graphene were investigated by first-principles calculations. The calculations show that the interaction between graphene and the decoration patches is weak and the semiconductor patches act as agents for weak electron doping without much disturbing graphene electronic π-bands. Redistribution of electrons due to the partial decoration causes the electrostatic potential lower in the decorated graphene areas, thus induced an electric field across the boundary between the decorated and non-decorated domains. Such an alternating electric field can change normal stochastic adatom diffusion to biased diffusion, leading to selective mass transport.
 [1] ;  [1] ;  [1] ;  [2] ;  [3]
  1. Northeast Normal Univ., Changchun (China). Center for Quantum Sciences. School of Physics
  2. Beijing Technology and Business Univ. (China). Dept. of Chemistry. School of Science
  3. Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
Publication Date:
Report Number(s):
Journal ID: ISSN 2045-2322; PII: 13603
Grant/Contract Number:
AC02-07CH11358; 11574044; 21503006; 20150520088JH
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 7; Journal ID: ISSN 2045-2322
Nature Publishing Group
Research Org:
Ames Lab. and Iowa State Univ., Ames, IA (United States); Northeast Normal Univ., Changchun (China)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Natural Science Foundation of China (NNSFC); Science and Technology Dept. of Jilin Province (China)
Country of Publication:
United States
36 MATERIALS SCIENCE; density functional theory; electronic properties and devices; electronic properties and materials; electronic structure
OSTI Identifier: