DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Kim, Yong-Hyun | - |
dc.contributor.advisor | 김용현 | - |
dc.contributor.author | Ko, Jae- Hyeon | - |
dc.contributor.author | 고재현 | - |
dc.date.accessioned | 2018-05-23T19:32:58Z | - |
dc.date.available | 2018-05-23T19:32:58Z | - |
dc.date.issued | 2017 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=675665&flag=dissertation | en_US |
dc.identifier.uri | http://hdl.handle.net/10203/241741 | - |
dc.description | 학위논문(박사) - 한국과학기술원 : 나노과학기술대학원, 2017.2,[vi, 75 p. :] | - |
dc.description.abstract | In this thesis, we study surface chemistry of colloidal quantum dots and nanoscale friction of graphene by investigating their surface properties using first-principles density-functional theory calculations. For colloidal quantum dots, our calculation results show that cation-rich surfaces are necessary for proper ligand-surface coordination to be stabilized. In addition to ligand-surface coordination, the cation-rich surface stabilization is affected by steric hindrance between coordinating ligands. For IV-VI colloidal quantum dots, the steric hindrance between passivating ligands has influence on shape transition from oleate-capped octahedron to cuboctahedron truncated with (100) surface that prone to surface oxidation. The shape transition leads to size-dependent air-stability of IV-VI colloidal quantum dots. For graphene, we examine nanoscale friction properties of chemically modified graphene, epitaxial graphene on SiC(0001), and water-intercalated graphene on mica. By calculating elastic properties of graphene and investigating 3D/2D contact through first-principles calculations and contact mechanics theory, we find that nanoscale frictional energy of graphene is mainly dissipated by out-of-plane bending deformation of graphene and shear deformations between graphene and substrate. In addition, for water-intercalated graphene, we propose that the increased friction by water layer is attributed to phonon excitation enhancement and improved energy transfer based on calculated phonon properties. | - |
dc.language | eng | - |
dc.publisher | 한국과학기술원 | - |
dc.subject | Surface chemistry | - |
dc.subject | Colloidal quantum dot | - |
dc.subject | Nanoscale friction | - |
dc.subject | Graphene | - |
dc.subject | First-principles calculation | - |
dc.subject | 표면화학 | - |
dc.subject | 콜로이드 양자점 | - |
dc.subject | 나노스케일 마찰력 | - |
dc.subject | 그래핀 | - |
dc.subject | 제일원리계산 | - |
dc.title | Theoretical study on surface properties of colloidal quantum dots and graphene | - |
dc.title.alternative | 콜로이드 양자점과 그래핀의 표면 특성에 대한 이론 연구 | - |
dc.type | Thesis(Ph.D) | - |
dc.identifier.CNRN | 325007 | - |
dc.description.department | 한국과학기술원 :나노과학기술대학원, | - |
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