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Substrate-mediated and temperature-modulated long-range interactions between bromine adatom stripes on Cu(1 1 1)

Applied Surface Science(2019)

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摘要
•Showing substrate-mediated and temperature-modulated effects of Br stripes on Cu(1 1 1)•Explaining the formation mechanism of adsorbate diversities for STM experiments.•Successful calculations in nanoscale models by first-principles MD simulations.
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关键词
Bromine stripes,Cu(1 1 1),Frontier orbitals,DFT,First-principles MD
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