4.7 Article

Similarities and trends in adsorbate induced reconstruction-Structure and stability of FCC iron and cobalt surface carbides

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APPLIED SURFACE SCIENCE
卷 626, 期 -, 页码 -

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DOI: 10.1016/j.apsusc.2023.157245

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Surface reconstruction; Iron carbide; Cobalt carbide; Fischer-Tropsch synthesis; Scanning tunneling microscopy; ARXPS; DFT

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The relationship between structure, electronic properties, and stability of thin FCC (100) iron and cobalt carbide films prepared on Cu(1 0 0) was studied. The first experimental confirmation of the C-induced clock reconstruction on the FCC(1 0 0) surfaces of iron and cobalt was presented. Both Fe and Co surface carbides exhibited a p4g (2 x 2) surface reconstruction with tetracoordinated square planar carbon and pure FCC (100) metal layers underneath. Detailed electronic and structural models for Fe2C and Co2C p4g (2 x 2) surface carbides and other 2D Fe2X interstitial compound systems were provided using AR-XPS, AES, LEED, STM, and theoretical calculations.
Thin FCC (100) iron and cobalt carbide films were prepared on Cu(1 0 0) to study the connection between their structure, electronic properties and stability. We present the first detailed, real space experimental confirmation of the C-induced clock reconstruction on the FCC(1 0 0) surfaces of iron and cobalt. Both Fe and Co surface carbides show p4g (2 x 2) surface reconstruction with tetracoordinated square planar carbon and pure FCC (100) metal layers underneath. Combining tip-sample distance dependent STM imaging with theoretical calculations we present different imaging modes of Fe2C. Using a combination of angle-resolved x-ray photoelectron spectroscopy (AR-XPS), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), scanning tunneling microscopy (STM), and theoretical calculations we provide detailed electronic and structural models for Fe2C and Co2C p4g (2 x 2) surface carbides and other 2D Fe2X interstitial compound systems. In various Fe2X (X = B, C, N, O) surface compounds moving to the right in the periodic table with increasing electrons the reconstruction becomes less favorable, while iron carbide shows the highest stability.

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