Design and implementation of low-cost gas sensor based on functionalized graphene quantum dot/Polyvinyl alcohol polymeric nanocomposites
Polyvinyl Alcohol’s (PVA) Electronic Properties are improved by adding metal oxides and functional groups, allowing them to be used in various applications based on their electrical properties. As a result, the functionalization of PVA is modeled using density functional theory at M062x/6–311 + G(2d...
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| Veröffentlicht in: | Optical and quantum electronics 2023-03, Vol.55 (3), Article 247 |
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| creator | Badry, Rania Ibrahim, Asmaa Gamal, Fatma Elhaes, Hanan Yahia, Ibrahim S. Zahran, Heba Y. Zahran, Mohamed Abdel-wahab, Mohamed Sh Zyoud, Samer H. Ibrahim, Medhat A. |
| description | Polyvinyl Alcohol’s (PVA) Electronic Properties are improved by adding metal oxides and functional groups, allowing them to be used in various applications based on their electrical properties. As a result, the functionalization of PVA is modeled using density functional theory at M062x/6–311 + G(2d, p). As an adsorption state, five molecules with various functional groups bind with the PVA surface: hydroxyl group (OH), carboxyl group (COOH), cyanide (CN), amino group (NH
2
), and graphene quantum dots (GQDs). As a result, there is a shift in the overall dipole moment and the HOMO/LUMO bandgap energy. Also investigated is the molecular electrostatic potential (MESP). Because of the functionalization, the possibility of PVA creating hydrogen bonds with its surroundings is increased. Also, the molecular electrostatic potential (MESP) is investigated. Because of the functionalization, the possibility of PVA making hydrogen bonds with its surroundings is increased, as seen by the MESP maps. The PVA surface’s physical properties fluctuate, making it suitable for various applications. Finally, the researched structure was dedicated as a gas sensor using the proposed model of PVA functionalized with GQDs. |
| doi_str_mv | 10.1007/s11082-022-04510-0 |
| format | Article |
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2
), and graphene quantum dots (GQDs). As a result, there is a shift in the overall dipole moment and the HOMO/LUMO bandgap energy. Also investigated is the molecular electrostatic potential (MESP). Because of the functionalization, the possibility of PVA creating hydrogen bonds with its surroundings is increased. Also, the molecular electrostatic potential (MESP) is investigated. Because of the functionalization, the possibility of PVA making hydrogen bonds with its surroundings is increased, as seen by the MESP maps. The PVA surface’s physical properties fluctuate, making it suitable for various applications. Finally, the researched structure was dedicated as a gas sensor using the proposed model of PVA functionalized with GQDs.</description><identifier>ISSN: 0306-8919</identifier><identifier>EISSN: 1572-817X</identifier><identifier>DOI: 10.1007/s11082-022-04510-0</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Carboxyl group ; Characterization and Evaluation of Materials ; Computer Communication Networks ; Density functional theory ; Dipole moments ; Electrical Engineering ; Electrical properties ; Functional groups ; Gas sensors ; Graphene ; Hydrogen bonds ; Hydroxyl groups ; Lasers ; Metal oxides ; Molecular orbitals ; Nanocomposites ; Optical Devices ; Optics ; Photonics ; Physical properties ; Physics ; Physics and Astronomy ; Polyvinyl alcohol ; Quantum dots</subject><ispartof>Optical and quantum electronics, 2023-03, Vol.55 (3), Article 247</ispartof><rights>The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c319t-baa2205a24738f3b9f2bd7c96bd4ffeb1a8811d1ca4dc41a7efe3b5d5a5b63a83</citedby><cites>FETCH-LOGICAL-c319t-baa2205a24738f3b9f2bd7c96bd4ffeb1a8811d1ca4dc41a7efe3b5d5a5b63a83</cites><orcidid>0000-0003-0265-7770</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s11082-022-04510-0$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s11082-022-04510-0$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,777,781,27905,27906,41469,42538,51300</link.rule.ids></links><search><creatorcontrib>Badry, Rania</creatorcontrib><creatorcontrib>Ibrahim, Asmaa</creatorcontrib><creatorcontrib>Gamal, Fatma</creatorcontrib><creatorcontrib>Elhaes, Hanan</creatorcontrib><creatorcontrib>Yahia, Ibrahim S.</creatorcontrib><creatorcontrib>Zahran, Heba Y.</creatorcontrib><creatorcontrib>Zahran, Mohamed</creatorcontrib><creatorcontrib>Abdel-wahab, Mohamed Sh</creatorcontrib><creatorcontrib>Zyoud, Samer H.</creatorcontrib><creatorcontrib>Ibrahim, Medhat A.</creatorcontrib><title>Design and implementation of low-cost gas sensor based on functionalized graphene quantum dot/Polyvinyl alcohol polymeric nanocomposites</title><title>Optical and quantum electronics</title><addtitle>Opt Quant Electron</addtitle><description>Polyvinyl Alcohol’s (PVA) Electronic Properties are improved by adding metal oxides and functional groups, allowing them to be used in various applications based on their electrical properties. As a result, the functionalization of PVA is modeled using density functional theory at M062x/6–311 + G(2d, p). As an adsorption state, five molecules with various functional groups bind with the PVA surface: hydroxyl group (OH), carboxyl group (COOH), cyanide (CN), amino group (NH
2
), and graphene quantum dots (GQDs). As a result, there is a shift in the overall dipole moment and the HOMO/LUMO bandgap energy. Also investigated is the molecular electrostatic potential (MESP). Because of the functionalization, the possibility of PVA creating hydrogen bonds with its surroundings is increased. Also, the molecular electrostatic potential (MESP) is investigated. Because of the functionalization, the possibility of PVA making hydrogen bonds with its surroundings is increased, as seen by the MESP maps. The PVA surface’s physical properties fluctuate, making it suitable for various applications. Finally, the researched structure was dedicated as a gas sensor using the proposed model of PVA functionalized with GQDs.</description><subject>Carboxyl group</subject><subject>Characterization and Evaluation of Materials</subject><subject>Computer Communication Networks</subject><subject>Density functional theory</subject><subject>Dipole moments</subject><subject>Electrical Engineering</subject><subject>Electrical properties</subject><subject>Functional groups</subject><subject>Gas sensors</subject><subject>Graphene</subject><subject>Hydrogen bonds</subject><subject>Hydroxyl groups</subject><subject>Lasers</subject><subject>Metal oxides</subject><subject>Molecular orbitals</subject><subject>Nanocomposites</subject><subject>Optical Devices</subject><subject>Optics</subject><subject>Photonics</subject><subject>Physical properties</subject><subject>Physics</subject><subject>Physics and Astronomy</subject><subject>Polyvinyl alcohol</subject><subject>Quantum dots</subject><issn>0306-8919</issn><issn>1572-817X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNp9kM1KxTAQhYMoeL36Aq4CrquT9H8p_oOgCwV3YZom10qb1EyrXJ_AxzZ6BXcuhoEz5xyYj7FDAccCoDwhIaCSCcg4WS4ggS22EHkpk0qUT9tsASkUSVWLepftEb0AQJHlsGCf54a6lePoWt4NY28G4yacOu-4t7z374n2NPEVEifjyAfeIJmWx7udnf42Yt99RGUVcHw2zvDXGd00D7z108m979dvnVv3HHvtn33Px6gMJnSaO3Re-2H01E2G9tmOxZ7Mwe9essfLi4ez6-T27urm7PQ20amop6RBlBJylFmZVjZtaiubttR10bSZtaYRWFVCtEJj1upMYGmsSZu8zTFvihSrdMmONr1j8K-zoUm9-DnEJ0jJshAlZBCrl0xuXDp4omCsGkM3YFgrAeqbuNoQV5G4-iGuIIbSTYii2a1M-Kv-J_UFojmIhg</recordid><startdate>20230301</startdate><enddate>20230301</enddate><creator>Badry, Rania</creator><creator>Ibrahim, Asmaa</creator><creator>Gamal, Fatma</creator><creator>Elhaes, Hanan</creator><creator>Yahia, Ibrahim S.</creator><creator>Zahran, Heba Y.</creator><creator>Zahran, Mohamed</creator><creator>Abdel-wahab, Mohamed Sh</creator><creator>Zyoud, Samer H.</creator><creator>Ibrahim, Medhat A.</creator><general>Springer US</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0003-0265-7770</orcidid></search><sort><creationdate>20230301</creationdate><title>Design and implementation of low-cost gas sensor based on functionalized graphene quantum dot/Polyvinyl alcohol polymeric nanocomposites</title><author>Badry, Rania ; Ibrahim, Asmaa ; Gamal, Fatma ; Elhaes, Hanan ; Yahia, Ibrahim S. ; Zahran, Heba Y. ; Zahran, Mohamed ; Abdel-wahab, Mohamed Sh ; Zyoud, Samer H. ; Ibrahim, Medhat A.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c319t-baa2205a24738f3b9f2bd7c96bd4ffeb1a8811d1ca4dc41a7efe3b5d5a5b63a83</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Carboxyl group</topic><topic>Characterization and Evaluation of Materials</topic><topic>Computer Communication Networks</topic><topic>Density functional theory</topic><topic>Dipole moments</topic><topic>Electrical Engineering</topic><topic>Electrical properties</topic><topic>Functional groups</topic><topic>Gas sensors</topic><topic>Graphene</topic><topic>Hydrogen bonds</topic><topic>Hydroxyl groups</topic><topic>Lasers</topic><topic>Metal oxides</topic><topic>Molecular orbitals</topic><topic>Nanocomposites</topic><topic>Optical Devices</topic><topic>Optics</topic><topic>Photonics</topic><topic>Physical properties</topic><topic>Physics</topic><topic>Physics and Astronomy</topic><topic>Polyvinyl alcohol</topic><topic>Quantum dots</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Badry, Rania</creatorcontrib><creatorcontrib>Ibrahim, Asmaa</creatorcontrib><creatorcontrib>Gamal, Fatma</creatorcontrib><creatorcontrib>Elhaes, Hanan</creatorcontrib><creatorcontrib>Yahia, Ibrahim S.</creatorcontrib><creatorcontrib>Zahran, Heba Y.</creatorcontrib><creatorcontrib>Zahran, Mohamed</creatorcontrib><creatorcontrib>Abdel-wahab, Mohamed Sh</creatorcontrib><creatorcontrib>Zyoud, Samer H.</creatorcontrib><creatorcontrib>Ibrahim, Medhat A.</creatorcontrib><collection>CrossRef</collection><jtitle>Optical and quantum electronics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Badry, Rania</au><au>Ibrahim, Asmaa</au><au>Gamal, Fatma</au><au>Elhaes, Hanan</au><au>Yahia, Ibrahim S.</au><au>Zahran, Heba Y.</au><au>Zahran, Mohamed</au><au>Abdel-wahab, Mohamed Sh</au><au>Zyoud, Samer H.</au><au>Ibrahim, Medhat A.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Design and implementation of low-cost gas sensor based on functionalized graphene quantum dot/Polyvinyl alcohol polymeric nanocomposites</atitle><jtitle>Optical and quantum electronics</jtitle><stitle>Opt Quant Electron</stitle><date>2023-03-01</date><risdate>2023</risdate><volume>55</volume><issue>3</issue><artnum>247</artnum><issn>0306-8919</issn><eissn>1572-817X</eissn><abstract>Polyvinyl Alcohol’s (PVA) Electronic Properties are improved by adding metal oxides and functional groups, allowing them to be used in various applications based on their electrical properties. As a result, the functionalization of PVA is modeled using density functional theory at M062x/6–311 + G(2d, p). As an adsorption state, five molecules with various functional groups bind with the PVA surface: hydroxyl group (OH), carboxyl group (COOH), cyanide (CN), amino group (NH
2
), and graphene quantum dots (GQDs). As a result, there is a shift in the overall dipole moment and the HOMO/LUMO bandgap energy. Also investigated is the molecular electrostatic potential (MESP). Because of the functionalization, the possibility of PVA creating hydrogen bonds with its surroundings is increased. Also, the molecular electrostatic potential (MESP) is investigated. Because of the functionalization, the possibility of PVA making hydrogen bonds with its surroundings is increased, as seen by the MESP maps. The PVA surface’s physical properties fluctuate, making it suitable for various applications. Finally, the researched structure was dedicated as a gas sensor using the proposed model of PVA functionalized with GQDs.</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s11082-022-04510-0</doi><orcidid>https://orcid.org/0000-0003-0265-7770</orcidid></addata></record> |
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| subjects | Carboxyl group Characterization and Evaluation of Materials Computer Communication Networks Density functional theory Dipole moments Electrical Engineering Electrical properties Functional groups Gas sensors Graphene Hydrogen bonds Hydroxyl groups Lasers Metal oxides Molecular orbitals Nanocomposites Optical Devices Optics Photonics Physical properties Physics Physics and Astronomy Polyvinyl alcohol Quantum dots |
| title | Design and implementation of low-cost gas sensor based on functionalized graphene quantum dot/Polyvinyl alcohol polymeric nanocomposites |
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