{"id":{"repo_id":"ohiolink","oai_identifier":"oai:etd.ohiolink.edu:wright1363288707"},"canonical_url":"https://search.dev.ndltd.org/etd/ohiolink/oai:etd.ohiolink.edu:wright1363288707","repository":{"repo_id":"ohiolink","name":"OhioLINK","base_url":"https://etd.ohiolink.edu/acprod/odb_etd/ws/oai/oai"},"display":{"title":"Characterization, stability, and transport through defects in graphene nanoribbons","abstract":"Graphene nanoribbons (GNRs) constitute a new class of nanostructured materials with unique properties and significant potential for applications. During production of GNRs, defects are generally introduced within the lattice. Assessment of defects' stability and characterization of their effects on GNRs are therefore very important for predicting GNRs performance under realistic circumstances. Here we consider various possible defects, namely the ones caused by removal/addition of carbon atoms from/to the lattice as well as those caused by bond rotation/rearrangement. Our study is based on ab initio geometry optimization and electronic structure calculations. We determine which defects can be stable in graphene nanoflakes and/or GNRs, by calculating the corresponding vibration modes. We further investigate how the presence of defects would modify electronic transport through defected GNRs. Among the defects considered, only some turn out to be stable within the GNR lattice. Transport in presence of defects is generally less compared to the pristine case, however, different defects cause different levels of conductance reduction. We also investigate the effects of a spin-polarized defect on transport characteristics.","abstract_html":"Graphene nanoribbons (GNRs) constitute a new class of nanostructured materials with unique properties and significant potential for applications. During production of GNRs, defects are generally introduced within the lattice. Assessment of defects' stability and characterization of their effects on GNRs are therefore very important for predicting GNRs performance under realistic circumstances. Here we consider various possible defects, namely the ones caused by removal/addition of carbon atoms from/to the lattice as well as those caused by bond rotation/rearrangement. Our study is based on ab initio geometry optimization and electronic structure calculations. We determine which defects can be stable in graphene nanoflakes and/or GNRs, by calculating the corresponding vibration modes. We further investigate how the presence of defects would modify electronic transport through defected GNRs. Among the defects considered, only some turn out to be stable within the GNR lattice. Transport in presence of defects is generally less compared to the pristine case, however, different defects cause different levels of conductance reduction. We also investigate the effects of a spin-polarized defect on transport characteristics.","abstract_has_math":false,"creators":["Pemmaraju, Sri Krishna Divya"],"institution":"Wright State University","degree_name":"Master of Science in Engineering (MSEgr)","degree_level":"masters","degree_discipline":"Mechanical Engineering","degree_department":null,"school":null,"contributors":["Farajian, Amir Abbas"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2012,"date_issued":"2012","date_published":"2012","updated_at":"2026-07-24T03:36:39Z","subjects":["Materials Science","Nanotechnology"],"languages":["English"],"rights":["unrestricted","This thesis or dissertation is protected by copyright: all rights reserved. It may not be copied or redistributed beyond the terms of applicable copyright laws."],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://rave.ohiolink.edu/etdc/view?acc_num=wright1363288707","outbound_label":"Repository record","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Farajian, Amir Abbas"]},{"key":"dc:creator","label":"Author","values":["Pemmaraju, Sri Krishna Divya"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2012"]},{"key":"dc:publisher","label":"Institution","values":["Wright State University / OhioLINK"]},{"key":"dc:type","label":"Dc Type","values":["Electronic Thesis or Dissertation"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Mechanical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["masters"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Master of Science in Engineering (MSEgr)"]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["Wright State University"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Materials Science","Nanotechnology"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["English"]},{"key":"dc:rights","label":"Dc Rights","values":["unrestricted","This thesis or dissertation is protected by copyright: all rights reserved. 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Our study is based on ab initio geometry optimization and electronic structure calculations. We determine which defects can be stable in graphene nanoflakes and/or GNRs, by calculating the corresponding vibration modes. We further investigate how the presence of defects would modify electronic transport through defected GNRs. Among the defects considered, only some turn out to be stable within the GNR lattice. Transport in presence of defects is generally less compared to the pristine case, however, different defects cause different levels of conductance reduction. We also investigate the effects of a spin-polarized defect on transport characteristics."]},{"key":"dc:format","label":"Dc Format","values":["application/pdf","p.98","9.19 MB"]},{"key":"dc:title","label":"Title","values":["Characterization, stability, and transport through defects in graphene nanoribbons"]}]}],"canonical_facts":{"dc:contributor":["Farajian, Amir Abbas"],"dc:creator":["Pemmaraju, Sri Krishna Divya"],"dc:date":["2012"],"dc:description":["Graphene nanoribbons (GNRs) constitute a new class of nanostructured materials with unique properties and significant potential for applications. During production of GNRs, defects are generally introduced within the lattice. Assessment of defects' stability and characterization of their effects on GNRs are therefore very important for predicting GNRs performance under realistic circumstances. Here we consider various possible defects, namely the ones caused by removal/addition of carbon atoms from/to the lattice as well as those caused by bond rotation/rearrangement. Our study is based on ab initio geometry optimization and electronic structure calculations. We determine which defects can be stable in graphene nanoflakes and/or GNRs, by calculating the corresponding vibration modes. We further investigate how the presence of defects would modify electronic transport through defected GNRs. Among the defects considered, only some turn out to be stable within the GNR lattice. Transport in presence of defects is generally less compared to the pristine case, however, different defects cause different levels of conductance reduction. We also investigate the effects of a spin-polarized defect on transport characteristics."],"dc:format":["application/pdf","p.98","9.19 MB"],"dc:identifier":["http://rave.ohiolink.edu/etdc/view?acc_num=wright1363288707"],"dc:language":["English"],"dc:publisher":["Wright State University / OhioLINK"],"dc:rights":["unrestricted","This thesis or dissertation is protected by copyright: all rights reserved. It may not be copied or redistributed beyond the terms of applicable copyright laws."],"dc:subject":["Materials Science","Nanotechnology"],"dc:title":["Characterization, stability, and transport through defects in graphene nanoribbons"],"dc:type":["Electronic Thesis or Dissertation"],"thesis:degree_discipline":["Mechanical Engineering"],"thesis:degree_level":["masters"],"thesis:degree_name":["Master of Science in Engineering (MSEgr)"],"thesis:institution_name":["Wright State University"]},"updated_at":"2026-07-24T03:36:39Z"}