Combined adsorption of Na and 1,3-butadiene on the Si(100) surface

  • Yu, Neung-Kyung
  • Bae, Garam
  • An, Ki-Seok
  • Shong, Bonggeun
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초록

Surface modification via adsorption enables control over surface properties. This study integrates synchrotron radiation photoelectron spectroscopy (SRPES) and density functional theory (DFT) calculations to investigate the adsorption of Na and 1,3-butadiene (BD) on the Si(100) surface. These processes result in the formation of Na/Si, BD/Si, and Na/BD/Si surfaces. Our results show that Na adsorption on BD/Si can induce BD dehydrogenation, facilitating increased Na coverage and the formation of metallic states. These findings provide insights into the interplay of Na and BD on the Si surface, offering potential pathways for tuning the surface properties.

키워드

Surface modificationAdsorptionSRPESDFTTOTAL-ENERGY CALCULATIONSDIELS-ALDER REACTIONSELASTIC BAND METHODCYCLOADDITION REACTIONELECTRONIC-STRUCTUREMOLECULAR-DYNAMICSTHERMAL-DESORPTIONSI(001)ABSORPTIONLI
제목
Combined adsorption of Na and 1,3-butadiene on the Si(100) surface
저자
Yu, Neung-KyungBae, GaramAn, Ki-SeokShong, Bonggeun
DOI
10.1016/j.apsusc.2025.163449
발행일
2025-09-30
유형
Article
저널명
Applied Surface Science
704