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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 modification; Adsorption; SRPES; DFT; TOTAL-ENERGY CALCULATIONS; DIELS-ALDER REACTIONS; ELASTIC BAND METHOD; CYCLOADDITION REACTION; ELECTRONIC-STRUCTURE; MOLECULAR-DYNAMICS; THERMAL-DESORPTION; SI(001); ABSORPTION; LI
- 제목
- Combined adsorption of Na and 1,3-butadiene on the Si(100) surface
- 저자
- Yu, Neung-Kyung; Bae, Garam; An, Ki-Seok; Shong, Bonggeun
- 발행일
- 2025-09-30
- 유형
- Article
- 권
- 704