First-principles calculations of the novel properties of two-dimensional materials

Two-dimensional (2D) materials such as graphene have inspired a worldwide upsurge of research interests since 2004 when graphene were firstly obtained by Andre Geim using mechanical exfoliation from highly oriented pyrolytic graphite. In spite of the excellent carrier mobility of graphene, the lack...

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Main Author: Yan, Jiaxu
Other Authors: Shen Zexiang
Format: Theses and Dissertations
Language:English
Published: 2015
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Online Access:https://hdl.handle.net/10356/62068
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-620682023-02-28T23:39:44Z First-principles calculations of the novel properties of two-dimensional materials Yan, Jiaxu Shen Zexiang School of Physical and Mathematical Sciences DRNTU::Science::Physics::Atomic physics::Solid state physics Two-dimensional (2D) materials such as graphene have inspired a worldwide upsurge of research interests since 2004 when graphene were firstly obtained by Andre Geim using mechanical exfoliation from highly oriented pyrolytic graphite. In spite of the excellent carrier mobility of graphene, the lack of a band gap impedes its applications in areas like nanoelectronics and solar cell. Although various methods have been developed to realize the band gap opening, the resulting structures are accompanied by adverse side effects, such as dramatically increased effective mass, distorted lattice, and/or damaged layer integrity, resulting in the loss of majority of its superior properties. Parallel to the intensive world-wide effort to engineer the band structure of graphene, scientists start to study other 2D materials beyond graphene. For example, molybdenum oxide and molybdenum sulfide, which possesses the layered structure as graphene, can be viewed as the potential candidates. Inspired by graphene, such 2D materials beyond graphene now have drawn more attention for its electrical and optical properties. PHYSICS and APPLIED PHYSICS 2015-01-10T05:23:23Z 2015-01-10T05:23:23Z 2014 2014 Thesis Yan, J. (2014). First-principles calculations of the novel properties of two-dimensional materials. Doctoral thesis, Nanyang Technological University, Singapore. https://hdl.handle.net/10356/62068 10.32657/10356/62068 en 142 p. application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic DRNTU::Science::Physics::Atomic physics::Solid state physics
spellingShingle DRNTU::Science::Physics::Atomic physics::Solid state physics
Yan, Jiaxu
First-principles calculations of the novel properties of two-dimensional materials
description Two-dimensional (2D) materials such as graphene have inspired a worldwide upsurge of research interests since 2004 when graphene were firstly obtained by Andre Geim using mechanical exfoliation from highly oriented pyrolytic graphite. In spite of the excellent carrier mobility of graphene, the lack of a band gap impedes its applications in areas like nanoelectronics and solar cell. Although various methods have been developed to realize the band gap opening, the resulting structures are accompanied by adverse side effects, such as dramatically increased effective mass, distorted lattice, and/or damaged layer integrity, resulting in the loss of majority of its superior properties. Parallel to the intensive world-wide effort to engineer the band structure of graphene, scientists start to study other 2D materials beyond graphene. For example, molybdenum oxide and molybdenum sulfide, which possesses the layered structure as graphene, can be viewed as the potential candidates. Inspired by graphene, such 2D materials beyond graphene now have drawn more attention for its electrical and optical properties.
author2 Shen Zexiang
author_facet Shen Zexiang
Yan, Jiaxu
format Theses and Dissertations
author Yan, Jiaxu
author_sort Yan, Jiaxu
title First-principles calculations of the novel properties of two-dimensional materials
title_short First-principles calculations of the novel properties of two-dimensional materials
title_full First-principles calculations of the novel properties of two-dimensional materials
title_fullStr First-principles calculations of the novel properties of two-dimensional materials
title_full_unstemmed First-principles calculations of the novel properties of two-dimensional materials
title_sort first-principles calculations of the novel properties of two-dimensional materials
publishDate 2015
url https://hdl.handle.net/10356/62068
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