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dc.contributor.advisorAdam P. Willard.en_US
dc.contributor.authorDodin, Amro.en_US
dc.contributor.otherMassachusetts Institute of Technology. Department of Chemistry.en_US
dc.date.accessioned2020-09-15T21:57:00Z
dc.date.available2020-09-15T21:57:00Z
dc.date.copyright2020en_US
dc.date.issued2020en_US
dc.identifier.urihttps://hdl.handle.net/1721.1/127422
dc.descriptionThesis: Ph. D., Massachusetts Institute of Technology, Department of Chemistry, May, 2020en_US
dc.descriptionCataloged from the official PDF of thesis.en_US
dc.descriptionIncludes bibliographical references (pages 185-203).en_US
dc.description.abstractNonequilibrium nanoscale systems present a range of fundamental and technological questions that microscopic theories based on Newton's and Schrödinger's equations as well as coarse grained macroscopic theories like thermodynamics are ill-equipped to handle. These systems are typically comprised of too many degrees of freedom to permit a microscopic treatment but show significant fluctuations or dependence on molecular detail that prohibit macroscopic coarse graining, thereby requiring the development of new theoretical and computational tools. This thesis considers two complementary approaches to treating mesoscale systems. In the first part, a range of numerical Monte-Carlo models are developed for treating energy and charge transport in disordered nanostructured semiconductors.en_US
dc.description.abstractThese studies reveal surprising non-equilibrium effects such as transport enhanced dye-sensitization in molecular aggregate-quantum dot colloids and nonequilibrium exciton "heating" in ligand exchanged quantum dot films that can be engineered to enhance macroscopic device performance. In addition, I present a model for electron transport through quantum dot solids that is used to derive quantitative design principles for electron energy filtering materials that can be used to mitigate thermal broadening in electronic devices. In the second part, I present a new formalism for treating heterogeneity in quantum ensembles that can be applied to emerging single molecule quantum spectroscopies. The resulting state space distribution formulation shares several important properties with classical phase space distribution, allowing for novel generalizations of classical statistical mechanical results.en_US
dc.description.abstractI show that this isomorphism can be used to systematically generalize the Crooks Fluctuation Theorem, Jarzynski Non-equilbirum Work Relation and the Bochkov-Kuzovlev generating functional that compactly encodes the Jarzynski equality, Onsager reciprocity relations and nonlinear response of all orders. The ability to generate these generalizations shows that despite very different mathematical manifestations in traditional theories, the fluctuations characterized by these theorems arise from the same fundamental physics in both quantum and classical systems.en_US
dc.description.statementofresponsibilityby Amro Dodin.en_US
dc.format.extent203 pagesen_US
dc.language.isoengen_US
dc.publisherMassachusetts Institute of Technologyen_US
dc.rightsMIT theses may be protected by copyright. Please reuse MIT thesis content according to the MIT Libraries Permissions Policy, which is available through the URL provided.en_US
dc.rights.urihttp://dspace.mit.edu/handle/1721.1/7582en_US
dc.subjectChemistry.en_US
dc.titleTransport and fluctuations at the nanoscaleen_US
dc.typeThesisen_US
dc.description.degreePh. D.en_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Chemistryen_US
dc.identifier.oclc1192960068en_US
dc.description.collectionPh.D. Massachusetts Institute of Technology, Department of Chemistryen_US
dspace.imported2020-09-15T21:57:00Zen_US
mit.thesis.degreeDoctoralen_US
mit.thesis.departmentChemen_US


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