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https://scholarbank.nus.edu.sg/handle/10635/208351
DC Field | Value | |
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dc.title | FIRST PRINCIPLES STUDIES OF RAMAN SCATTERING IN LOW-DIMENSIONAL MATERIALS | |
dc.contributor.author | HE WEN | |
dc.date.accessioned | 2021-11-26T18:00:26Z | |
dc.date.available | 2021-11-26T18:00:26Z | |
dc.date.issued | 2021-08-19 | |
dc.identifier.citation | HE WEN (2021-08-19). FIRST PRINCIPLES STUDIES OF RAMAN SCATTERING IN LOW-DIMENSIONAL MATERIALS. ScholarBank@NUS Repository. | |
dc.identifier.uri | https://scholarbank.nus.edu.sg/handle/10635/208351 | |
dc.description.abstract | In this thesis, we use first-principle calculations to predict the Raman spectra of emerging two-dimensional (2D) material-related systems and gain insights into the electron-phonon coupling of these systems. We first focus on recently synthesized half-van-der-Waals 2D metals which are covalently bound to a SiC substrate and protected by a graphene overlayer. In contrast to conventional 2D materials, the zone-center phonon modes in these 2D metals can be strongly coupled to the SiC substrate. We use a Green’s functions approach to study the surface resonance phonon modes, and predict the resonant Raman spectra in these systems. The optical resonances in these materials are shown to follow a simple quantum well model. We next focus on the recently observed phenomena of surface-enhanced Raman spectra (SERS) in organic-2D material systems. Using first-principle calculations, we propose a new mechanism for the origin of chemical enhancement in SERS from 2D semiconducting materials. | |
dc.language.iso | en | |
dc.subject | DFT, Green's Function, 2D Materials, Dielectric Function, Raman Scattering, Surface-enhanced Raman spectra | |
dc.type | Thesis | |
dc.contributor.department | MATERIALS SCIENCE AND ENGINEERING | |
dc.contributor.supervisor | Su Ying Quek | |
dc.contributor.supervisor | Stephen John Pennycook | |
dc.description.degree | Ph.D | |
dc.description.degreeconferred | DOCTOR OF PHILOSOPHY (CDE-ENG) | |
Appears in Collections: | Ph.D Theses (Open) |
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HeW.pdf | 8.35 MB | Adobe PDF | OPEN | None | View/Download |
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