mycoreobjectrosdok_disshab_0000003215rosdok_disshab_0000003215rosdokdisshabrosdok_derivate_00002234082025-01-28T11:00:01.550Z2025-01-27T15:01:36.044ZMCRJANITOReditorFGpublished1rosdok_derivate_0000223408truetruederivate_types:fulltextVolltextfulltextwf_edit_epub wf_register_epubstate:publishedstate:publishedveröffentlichtpublishedrosdok/id000047241915682223Oau2025-01-272025-01-27T15:09:15ZrdaConverted from PICA to MODS using Pica2MODS XSLT Transformer 2.10 [SCM: "f6c168af690edb7cb65ef34e4a2bf7f8714c5d38" "v2.10" "2024-03-28T14:43:08+0100"] with mode 'DEFAULT'.DissertationHochschulschriftComputational perspectives on environmental applications of two-dimensional materialsThis thesis explores 2D materials for environmental remediation through three case studies. First, water diffusion in graphene oxide layers, studied via xTB-based MD simulations, shows inter-layer H-bonded bridges slow diffusion, impacting membrane technology and selective separation. Second, polymers at the graphene/water interface reveal graphene's potential to adsorb nanoplastics, opening avenues for further research. Third, DFT calculations show antimonene can capture toxic TCDD molecules, enhanced by dopants. These studies advance 2D materials' applications in environmental remediation.MoyassarMeshhal1989 -VerfasserInaut1354550242OliverKühn1964 -AkademischeR BetreuerIndgs1410564870000-0002-5132-2961Universität RostockAshour Abdelaal MahmoudAhmed1983 -AkademischeR BetreuerIndgs1047494655ThomasHeine1970 -AkademischeR BetreuerIndgs142518573Technische Universität Dresden38329-6Universität Rostock1419 - 19761990 -Grad-verleihende Institutiondgg2147083-2Universität Rostock. Mathematisch-Naturwissenschaftliche FakultätGrad-verleihende Institutiondgghttps://purl.uni-rostock.de/rosdok/id00004724urn:nbn:de:gbv:28-rosdok_id00004724-910.18453/rosdok_id00004724530 PhysikMathematisch-Naturwissenschaftliche Fakultätalle Rechte vorbehaltenNutzungsrechte erteiltLizenz Metadaten: CC0frei zugänglich (Open Access)en1 Online-Ressource (xxi, 128 Seiten)202311.12.2023Universität RostockRostockmonographic20242025Universitätsbibliothek RostockRostock2025Universitätsbibliothek Rostockhttps://purl.uni-rostock.de/rosdok/id00004724Oliver Kühn (Universität Rostock) ; Ashour Ahmed (Universität Rostock) ; Thomas Heine (Technische Universität Dresden)[{"name":"Kühn, Oliver","affil":"Universität Rostock"},{"name":"Ahmed, Ashour","affil":"Universität Rostock"},{"name":"Heine, Thomas","affil":"Technische Universität Dresden"}]Dissertation, Universität Rostock, 20242D 2-dimensionalvorgelegt von Moyassar MeshhalKühn, OliverUniversität RostockAhmed, AshourUniversität RostockHeine, ThomasTechnische Universität Dresdendoctype:epubdoctype:epubDokumenttypDocument typedoctype:epub.dissertationdoctype:epub.dissertationDissertationdoctoral thesisdiniPublType:doctoralThesis diniPublType2022:PhDThesis XMetaDissPlusThesisLevel:thesis.doctoralinfo:eu-repo/semantics/doctoralThesisdocumentnatureOfContent:ppn_105825778natureOfContent:ppn_105825778HochschulschriftdiniPublType2022:DoctoralThesisdiniPublType2022:DoctoralThesisDissertation oder HabilitationDoctoral thesisDRIVERdiniPublType2022:PhDThesisdiniPublType2022:PhDThesisDissertationPhD thesisKDSF (Pu34)XMetaDissPlusThesisLevel:thesis.doctoralXMetaDissPlusThesisLevel:thesis.doctoralDoktorarbeitdoctoral thesisSDNB:530SDNB:530530 Physik530 Physicsinstitution:unirostockinstitution:unirostockUniversität RostockUniversity of RostockUniversität RostockUniversität RostockUni.Rostockhttp://d-nb.info/gnd/38329-6institution:unirostock.mnfinstitution:unirostock.mnfMathematisch-Naturwissenschaftliche FakultätFaculty of Mathematics and Natural SciencesUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätMathematisch-Natur-<br />wissenschaftliche FakultätUni.Rostock.Fakultaet.MNFhttp://d-nb.info/gnd/2147083-2licenseinfo:worklicenseinfo:workWerkworklicenseinfo:work.rightsreservedlicenseinfo:work.rightsreservedalle Rechte vorbehaltenall rights reserved/creativecommons/r/reserved/0.9/88x31.png[DE-28]Urheberrechtsschutz 1.0$gRights Statements$uhttp://rightsstatements.org/vocab/InC/1.0/http://rightsstatements.org/vocab/InC/1.0/http://rightsstatements.org/vocab/InC/1.0/licenseinfo:depositlicenseinfo:depositVeröffentlichungsgenehmigungpermission to storelicenseinfo:deposit.rightsgrantedlicenseinfo:deposit.rightsgrantedNutzungsrechte erteiltrights grantedlicenseinfo:metadatalicenseinfo:metadataLizenzen für Metadatenlicenseinfo:metadata.cc0licenseinfo:metadata.cc0Lizenz Metadaten: CC0license metadata: CC0/creativecommons/p/zero/1.0/88x31.pnghttps://creativecommons.org/publicdomain/zero/1.0/accesscondition:openaccessaccesscondition:openaccessfrei zugänglich (Open Access)open accesshttp://purl.org/coar/access_right/c_abf2OAfreeinfo:eu-repo/semantics/openAccess[DE-28]Open Access$gControlled Vocabulary for Access Rights$uhttp://purl.org/coar/access_right/c_abf2rfc5646:enrfc5646:enEnglischEnglishengengComputational perspectives on environmental applications of two-dimensional materialsComputational perspectives on environmental applications of two-dimensional materialsgnd:1354550242gnd:141056487orcid:0000-0002-5132-2961gnd:1047494655gnd:142518573gnd:38329-6gnd:2147083-2gnd:1354550242gnd:141056487orcid:0000-0002-5132-2961gnd:1047494655gnd:142518573gnd:38329-6gnd:2147083-2rosdok_disshab_0000003215-d566733e52gnd:1354550242Moyassar MeshhalMoyassar Meshhalrosdok_disshab_0000003215-d566733e66gnd:141056487orcid:0000-0002-5132-2961Oliver KühnOliver Kühnrosdok_disshab_0000003215-d566733e83gnd:1047494655Ashour Abdelaal Mahmoud AhmedAshour Abdelaal Mahmoud Ahmedrosdok_disshab_0000003215-d566733e97gnd:142518573Thomas HeineThomas Heinerosdok_disshab_0000003215-d566733e113gnd:38329-6Universität RostockUniversität Rostockrosdok_disshab_0000003215-d566733e126gnd:2147083-2Universität Rostock. Mathematisch-Naturwissenschaftliche FakultätUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätMoyassar MeshhalOliver KühnAshour Abdelaal Mahmoud AhmedThomas HeineUniversität RostockUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätMoyassar MeshhalOliver KühnAshour Abdelaal Mahmoud AhmedThomas HeineUniversität RostockUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätMoyassar MeshhalRostockUniversität Rostockepub.dissertationhttps://purl.uni-rostock.de/rosdok/id00004724urn:nbn:de:gbv:28-rosdok_id00004724-910.18453/rosdok_id00004724This thesis explores 2D materials for environmental remediation through three case studies. First, water diffusion in graphene oxide layers, studied via xTB-based MD simulations, shows inter-layer H-bonded bridges slow diffusion, impacting membrane technology and selective separation. Second, polymers at the graphene/water interface reveal graphene's potential to adsorb nanoplastics, opening avenues for further research. Third, DFT calculations show antimonene can capture toxic TCDD molecules, enhanced by dopants. These studies advance 2D materials' applications in environmental remediation.20232023Oliver Kühn (Universität Rostock) ; Ashour Ahmed (Universität Rostock) ; Thomas Heine (Technische Universität Dresden)[{"name":"Kühn, Oliver","affil":"Universität Rostock"},{"name":"Ahmed, Ashour","affil":"Universität Rostock"},{"name":"Heine, Thomas","affil":"Technische Universität Dresden"}]Dissertation, Universität Rostock, 20242D 2-dimensionalvorgelegt von Moyassar Meshhalepub.dissertation1 Meshhal_Dissertation_2025.pdf 34229117 9f7d9fed98f87ce486847fe9e5c6101f rosdok/id000047241915682223Oau2025-01-272025-01-27T15:09:15ZrdaConverted from PICA to MODS using Pica2MODS XSLT Transformer 2.10 [SCM: "f6c168af690edb7cb65ef34e4a2bf7f8714c5d38" "v2.10" "2024-03-28T14:43:08+0100"] with mode 'DEFAULT'.DissertationHochschulschriftComputational perspectives on environmental applications of two-dimensional materialsThis thesis explores 2D materials for environmental remediation through three case studies. First, water diffusion in graphene oxide layers, studied via xTB-based MD simulations, shows inter-layer H-bonded bridges slow diffusion, impacting membrane technology and selective separation. Second, polymers at the graphene/water interface reveal graphene's potential to adsorb nanoplastics, opening avenues for further research. Third, DFT calculations show antimonene can capture toxic TCDD molecules, enhanced by dopants. These studies advance 2D materials' applications in environmental remediation.MoyassarMeshhal1989 -VerfasserInaut1354550242OliverKühn1964 -AkademischeR BetreuerIndgs1410564870000-0002-5132-2961Universität RostockAshour Abdelaal MahmoudAhmed1983 -AkademischeR BetreuerIndgs1047494655ThomasHeine1970 -AkademischeR BetreuerIndgs142518573Technische Universität Dresden38329-6Universität Rostock1419 - 19761990 -Grad-verleihende Institutiondgg2147083-2Universität Rostock. Mathematisch-Naturwissenschaftliche FakultätGrad-verleihende Institutiondgghttps://purl.uni-rostock.de/rosdok/id00004724urn:nbn:de:gbv:28-rosdok_id00004724-910.18453/rosdok_id00004724530 PhysikMathematisch-Naturwissenschaftliche Fakultätalle Rechte vorbehaltenNutzungsrechte erteiltLizenz Metadaten: CC0frei zugänglich (Open Access)en1 Online-Ressource (xxi, 128 Seiten)202311.12.2023Universität RostockRostockmonographic20242025Universitätsbibliothek RostockRostock2025Universitätsbibliothek Rostockhttps://purl.uni-rostock.de/rosdok/id00004724Oliver Kühn (Universität Rostock) ; Ashour Ahmed (Universität Rostock) ; Thomas Heine (Technische Universität Dresden)[{"name":"Kühn, Oliver","affil":"Universität Rostock"},{"name":"Ahmed, Ashour","affil":"Universität Rostock"},{"name":"Heine, Thomas","affil":"Technische Universität Dresden"}]Dissertation, Universität Rostock, 20242D 2-dimensionalvorgelegt von Moyassar Meshhal Kühn, Oliver Universität Rostock Ahmed, Ashour Universität Rostock Heine, Thomas Technische Universität Dresden 2025-01-27T15:01:36.044Z 2025-01-28T11:00:01.550Z 2025-02-07T11:00:01.570Z editorFG {"identifier":"rosdok/id00004724","type":"local_id","additional":"","service":"MCRLocalID","created":"2025-01-27T15:01:38.040Z"} {"identifier":"https://purl.uni-rostock.de/rosdok/id00004724","type":"purl","additional":"","service":"RosDokPURL","created":"2025-01-27T15:01:38.143Z","registrationStarted":"2025-01-27T15:31:07.200Z"} {"identifier":"10.18453/rosdok_id00004724","type":"doi","additional":"","service":"RosDokDOI","created":"2025-01-27T15:01:38.152Z","registrationStarted":"2025-01-27T15:31:06.540Z","registered":"2025-01-27T15:31:09.116Z"} {"identifier":"urn:nbn:de:gbv:28-rosdok_id00004724-9","type":"dnbUrn","additional":"","service":"RosDokURN","created":"2025-01-27T15:01:38.124Z","registered":"2025-01-28T09:03:58.437Z"} MCRJANITORfulltextfile/rosdok_disshab_0000003215/rosdok_derivate_0000223408/Meshhal_Dissertation_2025.pdfComputational perspectives on environmental applications of two-dimensional materialsComputational perspectives on environmental applications of two-dimensional materialsgnd:1354550242gnd:141056487orcid:0000-0002-5132-2961gnd:1047494655gnd:142518573gnd:38329-6gnd:2147083-2gnd:1354550242gnd:141056487orcid:0000-0002-5132-2961gnd:1047494655gnd:142518573gnd:38329-6gnd:2147083-2rosdok_disshab_0000003215-d566733e52gnd:1354550242Moyassar MeshhalMoyassar Meshhalrosdok_disshab_0000003215-d566733e66gnd:141056487orcid:0000-0002-5132-2961Oliver KühnOliver Kühnrosdok_disshab_0000003215-d566733e83gnd:1047494655Ashour Abdelaal Mahmoud AhmedAshour Abdelaal Mahmoud Ahmedrosdok_disshab_0000003215-d566733e97gnd:142518573Thomas HeineThomas Heinerosdok_disshab_0000003215-d566733e113gnd:38329-6Universität RostockUniversität Rostockrosdok_disshab_0000003215-d566733e126gnd:2147083-2Universität Rostock. Mathematisch-Naturwissenschaftliche FakultätUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätMoyassar MeshhalOliver KühnAshour Abdelaal Mahmoud AhmedThomas HeineUniversität RostockUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätMoyassar MeshhalOliver KühnAshour Abdelaal Mahmoud AhmedThomas HeineUniversität RostockUniversität Rostock. Mathematisch-Naturwissenschaftliche FakultätMoyassar MeshhalRostockUniversität Rostockepub.dissertationhttps://purl.uni-rostock.de/rosdok/id00004724urn:nbn:de:gbv:28-rosdok_id00004724-910.18453/rosdok_id00004724This thesis explores 2D materials for environmental remediation through three case studies. First, water diffusion in graphene oxide layers, studied via xTB-based MD simulations, shows inter-layer H-bonded bridges slow diffusion, impacting membrane technology and selective separation. Second, polymers at the graphene/water interface reveal graphene's potential to adsorb nanoplastics, opening avenues for further research. Third, DFT calculations show antimonene can capture toxic TCDD molecules, enhanced by dopants. These studies advance 2D materials' applications in environmental remediation.20232023Oliver Kühn (Universität Rostock) ; Ashour Ahmed (Universität Rostock) ; Thomas Heine (Technische Universität Dresden)[{"name":"Kühn, Oliver","affil":"Universität Rostock"},{"name":"Ahmed, Ashour","affil":"Universität Rostock"},{"name":"Heine, Thomas","affil":"Technische Universität Dresden"}]Dissertation, Universität Rostock, 20242D 2-dimensionalvorgelegt von Moyassar Meshhal[xslt]Saxonrosdok/id00004724https://purl.uni-rostock.de/rosdok/id00004724191568222310.18453/rosdok_id00004724urn:nbn:de:gbv:28-rosdok_id00004724-9Moyassar MeshhalMeshhal MoyassarComputational perspectives on environmental applications of two-dimensional materialsDissertationdoctoral thesisUniversität Rostock, 11.12.2023This thesis explores 2D materials for environmental remediation through three case studies. First, water diffusion in graphene oxide layers, studied via xTB-based MD simulations, shows inter-layer H-bonded bridges slow diffusion, impacting membrane technology and selective separation. Second,…Moyassar MeshhalComputational perspectives on environmental applications of two-dimensional materials2D 2-dimensionalUniversitätsbibliothek Rostockhttps://purl.uni-rostock.de/rosdok/id00004724MoyassarMeshhal1989 -VerfasserInaut1354550242OliverKühn1964 -AkademischeR BetreuerIndgs1410564870000-0002-5132-2961Universität RostockAshour Abdelaal MahmoudAhmed1983 -AkademischeR BetreuerIndgs1047494655ThomasHeine1970 -AkademischeR BetreuerIndgs142518573Technische Universität Dresden38329-6Universität Rostock1419 - 19761990 -Grad-verleihende Institutiondgg2147083-2Universität Rostock. Mathematisch-Naturwissenschaftliche FakultätGrad-verleihende Institutiondgg[purl]https://purl.uni-rostock.de/rosdok/id00004724[urn]urn:nbn:de:gbv:28-rosdok_id00004724-9[doi]10.18453/rosdok_id00004724open_access20232023epoch:21th_centuryrfc5646:endoctype:epub.dissertationaccesscondition:openaccessSDNB:530institution:unirostock.mnfstate:published