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100 1 _ |a Zhang, Qiang
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245 _ _ |a Tuning Band Gap and Work Function Modulations in Monolayer hBN/Cu(111) Heterostructures with Moiré Patterns
260 _ _ |a Washington, DC
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520 _ _ |a The moiré pattern formed between a two-dimensional (2D) material and the substrate has played a crucial role in tuning the electronic structure of the 2D material. Here, by using scanning tunneling microscopy and spectroscopy, we found a moiré-pattern-dependent band gap and work function modulation in hexagonal boron nitride (hBN)/Cu(111) heterostructures, whose amplitudes increase with the moiré pattern wavelength. Moreover, the work function modulation shifts agree well with the conduction band edge shifts, indicating a spatially constant electron affinity for the hBN layer. Density functional theory calculations showed that these observations in hBN/Cu(111) heterostructures mainly originated from the hybridization of the N 3pz orbital and Cu 4s orbital in different atomic configurations. Our results show that the twist-angle dependence of moiré patterns in hBN/Cu(111) heterostructures can be used to tailor the electronic properties including band gap and work function.
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700 1 _ |a Yu, Jin
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700 1 _ |a Ebert, Philipp
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700 1 _ |a Zhang, Chendong
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700 1 _ |a Pan, Chi-Ruei
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700 1 _ |a Chou, Mei-Yin
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700 1 _ |a Shih, Chih-Kang
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|e Corresponding author
700 1 _ |a Zeng, Changgan
|0 0000-0001-8630-845X
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700 1 _ |a Yuan, Shengjun
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773 _ _ |a 10.1021/acsnano.8b04444
|g Vol. 12, no. 9, p. 9355 - 9362
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