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

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dc.contributor.advisorYakobson, Boris I.en_US
dc.contributor.committeeMemberLou, Junen_US
dc.contributor.committeeMemberTour, James M.en_US
dc.creatorLiu, Yuanyueen_US
dc.date.accessioned2016-01-25T16:14:09Zen_US
dc.date.available2016-01-25T16:14:09Zen_US
dc.date.created2014-12en_US
dc.date.issued2014-07-29en_US
dc.date.submittedDecember 2014en_US
dc.date.updated2016-01-25T16:14:09Zen_US
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.en_US
dc.format.mimetypeapplication/pdfen_US
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>.en_US
dc.identifier.urihttps://hdl.handle.net/1911/88104en_US
dc.language.isoengen_US
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.en_US
dc.subjectlow-dimensional materialsen_US
dc.titleComputational study of synthesis, structure, property and application of low-dimensional materialsen_US
dc.typeThesisen_US
dc.type.materialTexten_US
thesis.degree.departmentMaterials Science and NanoEngineeringen_US
thesis.degree.disciplineEngineeringen_US
thesis.degree.grantorRice Universityen_US
thesis.degree.levelDoctoralen_US
thesis.degree.nameDoctor of Philosophyen_US
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