期刊
ACS NANO
卷 9, 期 11, 页码 11398-11407出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsnano.5b05305
关键词
graphene; doping; electronic structure; STEM; EELS; ab initio calculations; DFT
类别
资金
- Engineering and Physical Sciences Research Council (EPSRC)
- Engineering and Physical Sciences Research Council [EP/L022907/1, EP/I008144/1] Funding Source: researchfish
- EPSRC [EP/I008144/1, EP/L022907/1] Funding Source: UKRI
A combination of scanning transmission electron microscopy, electron energy loss spectroscopy, and ab initio calculations is used to describe the electronic structure modifications incurred by free-standing graphene through two types of single-atom doping. The N K and C K electron energy loss transitions show the presence of pi* bonding states, which are highly localized around the N dopant. In contrast, the B K transition of a single B dopant atom shows an unusual broad asymmetric peak which is the result of delocalized pi* states away from the B dopant. The asymmetry of the B K toward higher energies is attributed to highly localized sigma* antibonding states. These experimental observations are then interpreted as direct fingerprints of the expected p- and n-type behavior of graphene doped in this fashion, through careful comparison with density functional theory calculations.
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