Computational study of synthesis, structure, property and application of low-dimensional materials

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dc.contributor.advisorYakobson, Boris I.
dc.contributor.committeeMemberLou, Jun
dc.contributor.committeeMemberTour, James M.
dc.creatorLiu, Yuanyue
dc.date.accessioned2016-01-25T16:14:09Z
dc.date.available2016-01-25T16:14:09Z
dc.date.created2014-12
dc.date.issued2014-07-29
dc.date.submittedDecember 2014
dc.date.updated2016-01-25T16:14:09Z
dc.description.abstractLow-dimensional materials have attracted intense interest due to their unconventional properties and promising potential for applications. In this thesis, state-of-art computational methods are employed to study the syntheses, structures, properties, and applications of low-dimensional materials, including carbon nanotube, graphene, boron nitride and transition metal dichalcogenides. Special focus is given to the atomistic mechanism of chemical vapor deposition growth, defect structure and properties, Li-ion battery, and catalytic hydrogen production. Design of novel materials based on Materials Genome approach will also be presented.
dc.format.mimetypeapplication/pdf
dc.identifier.citationLiu, Yuanyue. "Computational study of synthesis, structure, property and application of low-dimensional materials." (2014) Diss., Rice University. <a href="https://hdl.handle.net/1911/88104">https://hdl.handle.net/1911/88104</a>.
dc.identifier.urihttps://hdl.handle.net/1911/88104
dc.language.isoeng
dc.rightsCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.
dc.subjectlow-dimensional materials
dc.titleComputational study of synthesis, structure, property and application of low-dimensional materials
dc.typeThesis
dc.type.materialText
thesis.degree.departmentMaterials Science and NanoEngineering
thesis.degree.disciplineEngineering
thesis.degree.grantorRice University
thesis.degree.levelDoctoral
thesis.degree.nameDoctor of Philosophy
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