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Investigating a Fluorobenzene Based Single Electron Transistor As a Toxic Gas Sensor
A fluorobenzene based single electron transistor (SET) has been investigated for the detection of toxic gases viz. NH 3 , HCN, AsH 3 , and COCl 2 , within the framework of density functional theory (DFT) formalism based first-principles approach. Initially, the adsorption mechanism between the fluor...
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| Published in: | Journal of electronic materials 2021-03, Vol.50 (3), p.1022-1031 |
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| Main Authors: | , , , |
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| cites | cdi_FETCH-LOGICAL-c356t-9dee2c3e04052ee37f265b3e8861df4fa0eb3fa437f627bc4b2f4a9e5033b5aa3 |
| container_end_page | 1031 |
| container_issue | 3 |
| container_start_page | 1022 |
| container_title | Journal of electronic materials |
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| creator | Gaurav, Kumar SanthiBhushan, Boddepalli Mehla, Ravi Srivastava, Anurag |
| description | A fluorobenzene based single electron transistor (SET) has been investigated for the detection of toxic gases viz. NH
3
, HCN, AsH
3
, and COCl
2
, within the framework of density functional theory (DFT) formalism based first-principles approach. Initially, the adsorption mechanism between the fluorobenzene quantum dot and the toxic gases (NH
3
, HCN, AsH
3
, and COCl
2
) has been analyzed in terms of adsorption energy, distance of adsorption, DOS profiles and the charge transfer analysis. Later, the exclusive property of charge stability diagram of SET has been utilized to provide the necessary electronic fingerprints for detection of toxic gases. The results suggest that the fluorobenzene SET can be a potential sensor for proposed toxic gases based on the wide operational temperature range and high detection ability as witnessed from the electronic fingerprints. |
| doi_str_mv | 10.1007/s11664-020-08663-0 |
| format | article |
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3
, HCN, AsH
3
, and COCl
2
, within the framework of density functional theory (DFT) formalism based first-principles approach. Initially, the adsorption mechanism between the fluorobenzene quantum dot and the toxic gases (NH
3
, HCN, AsH
3
, and COCl
2
) has been analyzed in terms of adsorption energy, distance of adsorption, DOS profiles and the charge transfer analysis. Later, the exclusive property of charge stability diagram of SET has been utilized to provide the necessary electronic fingerprints for detection of toxic gases. The results suggest that the fluorobenzene SET can be a potential sensor for proposed toxic gases based on the wide operational temperature range and high detection ability as witnessed from the electronic fingerprints.</description><identifier>ISSN: 0361-5235</identifier><identifier>EISSN: 1543-186X</identifier><identifier>DOI: 10.1007/s11664-020-08663-0</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Adsorption ; Ammonia ; Characterization and Evaluation of Materials ; Charge transfer ; Chemistry and Materials Science ; Density functional theory ; Density of states ; Electronics and Microelectronics ; Fingerprints ; First principles ; Gas sensors ; Instrumentation ; Materials Science ; Optical and Electronic Materials ; Original Research Article ; Phosgene ; Quantum dots ; Semiconductor devices ; Single-electron transistors ; Solid State Physics ; Stability analysis ; Transistors</subject><ispartof>Journal of electronic materials, 2021-03, Vol.50 (3), p.1022-1031</ispartof><rights>The Minerals, Metals & Materials Society 2021</rights><rights>The Minerals, Metals & Materials Society 2021.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c356t-9dee2c3e04052ee37f265b3e8861df4fa0eb3fa437f627bc4b2f4a9e5033b5aa3</citedby><cites>FETCH-LOGICAL-c356t-9dee2c3e04052ee37f265b3e8861df4fa0eb3fa437f627bc4b2f4a9e5033b5aa3</cites><orcidid>0000-0002-7046-405X</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids></links><search><creatorcontrib>Gaurav, Kumar</creatorcontrib><creatorcontrib>SanthiBhushan, Boddepalli</creatorcontrib><creatorcontrib>Mehla, Ravi</creatorcontrib><creatorcontrib>Srivastava, Anurag</creatorcontrib><title>Investigating a Fluorobenzene Based Single Electron Transistor As a Toxic Gas Sensor</title><title>Journal of electronic materials</title><addtitle>Journal of Elec Materi</addtitle><description>A fluorobenzene based single electron transistor (SET) has been investigated for the detection of toxic gases viz. NH
3
, HCN, AsH
3
, and COCl
2
, within the framework of density functional theory (DFT) formalism based first-principles approach. Initially, the adsorption mechanism between the fluorobenzene quantum dot and the toxic gases (NH
3
, HCN, AsH
3
, and COCl
2
) has been analyzed in terms of adsorption energy, distance of adsorption, DOS profiles and the charge transfer analysis. Later, the exclusive property of charge stability diagram of SET has been utilized to provide the necessary electronic fingerprints for detection of toxic gases. The results suggest that the fluorobenzene SET can be a potential sensor for proposed toxic gases based on the wide operational temperature range and high detection ability as witnessed from the electronic fingerprints.</description><subject>Adsorption</subject><subject>Ammonia</subject><subject>Characterization and Evaluation of Materials</subject><subject>Charge transfer</subject><subject>Chemistry and Materials Science</subject><subject>Density functional theory</subject><subject>Density of states</subject><subject>Electronics and Microelectronics</subject><subject>Fingerprints</subject><subject>First principles</subject><subject>Gas sensors</subject><subject>Instrumentation</subject><subject>Materials Science</subject><subject>Optical and Electronic Materials</subject><subject>Original Research Article</subject><subject>Phosgene</subject><subject>Quantum dots</subject><subject>Semiconductor devices</subject><subject>Single-electron transistors</subject><subject>Solid State Physics</subject><subject>Stability analysis</subject><subject>Transistors</subject><issn>0361-5235</issn><issn>1543-186X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp9kE1LAzEQhoMoWKt_wFPAc3Ty2e2xlrYWCh66greQ3c6WLWtSk62ov95oBW-e5jDv8w7zEHLN4ZYDjO4S58YoBgIYFMZIBidkwLWSjBfm-ZQMQBrOtJD6nFyktAPgmhd8QMqlf8PUt1vXt35LHZ13hxBDhf4TPdJ7l3BD13nVIZ11WPcxeFpG51Ob-hDpJGWmDO9tTRcu0TX6FOIlOWtcl_Dqdw7J03xWTh_Y6nGxnE5WrJba9Gy8QRS1RFCgBaIcNcLoSmJRGL5pVOMAK9k4lRdGjKpaVaJRbowapKy0c3JIbo69-xheD_kNuwuH6PNJK9Q41wojRE6JY6qOIaWIjd3H9sXFD8vBftuzR3s227M_9ixkSB6hlMN-i_Gv-h_qCzrOcpU</recordid><startdate>20210301</startdate><enddate>20210301</enddate><creator>Gaurav, Kumar</creator><creator>SanthiBhushan, Boddepalli</creator><creator>Mehla, Ravi</creator><creator>Srivastava, Anurag</creator><general>Springer US</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7XB</scope><scope>88I</scope><scope>8AF</scope><scope>8AO</scope><scope>8FE</scope><scope>8FG</scope><scope>8FK</scope><scope>8G5</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>ARAPS</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>GNUQQ</scope><scope>GUQSH</scope><scope>HCIFZ</scope><scope>KB.</scope><scope>L6V</scope><scope>M2O</scope><scope>M2P</scope><scope>M7S</scope><scope>MBDVC</scope><scope>P5Z</scope><scope>P62</scope><scope>PDBOC</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope><scope>Q9U</scope><scope>S0X</scope><orcidid>https://orcid.org/0000-0002-7046-405X</orcidid></search><sort><creationdate>20210301</creationdate><title>Investigating a Fluorobenzene Based Single Electron Transistor As a Toxic Gas Sensor</title><author>Gaurav, Kumar ; SanthiBhushan, Boddepalli ; Mehla, Ravi ; Srivastava, Anurag</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c356t-9dee2c3e04052ee37f265b3e8861df4fa0eb3fa437f627bc4b2f4a9e5033b5aa3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Adsorption</topic><topic>Ammonia</topic><topic>Characterization and Evaluation of Materials</topic><topic>Charge transfer</topic><topic>Chemistry and Materials Science</topic><topic>Density functional theory</topic><topic>Density of states</topic><topic>Electronics and Microelectronics</topic><topic>Fingerprints</topic><topic>First principles</topic><topic>Gas sensors</topic><topic>Instrumentation</topic><topic>Materials Science</topic><topic>Optical and Electronic Materials</topic><topic>Original Research Article</topic><topic>Phosgene</topic><topic>Quantum dots</topic><topic>Semiconductor devices</topic><topic>Single-electron transistors</topic><topic>Solid State Physics</topic><topic>Stability analysis</topic><topic>Transistors</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Gaurav, Kumar</creatorcontrib><creatorcontrib>SanthiBhushan, Boddepalli</creatorcontrib><creatorcontrib>Mehla, Ravi</creatorcontrib><creatorcontrib>Srivastava, Anurag</creatorcontrib><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Science Database (Alumni Edition)</collection><collection>STEM Database</collection><collection>ProQuest Pharma Collection</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>Research Library (Alumni Edition)</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni)</collection><collection>ProQuest Central UK/Ireland</collection><collection>Advanced Technologies & Aerospace Collection</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Materials Science Collection</collection><collection>ProQuest Central</collection><collection>ProQuest Central Student</collection><collection>Research Library Prep (ProQuest)</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Materials Science Database</collection><collection>ProQuest Engineering Collection</collection><collection>ProQuest Research Library</collection><collection>ProQuest Science Journals</collection><collection>ProQuest Engineering Database</collection><collection>Research Library (Corporate)</collection><collection>ProQuest advanced technologies & aerospace journals</collection><collection>ProQuest Advanced Technologies & Aerospace Collection</collection><collection>Materials Science Collection</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering collection</collection><collection>ProQuest Central Basic</collection><collection>SIRS Editorial</collection><jtitle>Journal of electronic materials</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Gaurav, Kumar</au><au>SanthiBhushan, Boddepalli</au><au>Mehla, Ravi</au><au>Srivastava, Anurag</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Investigating a Fluorobenzene Based Single Electron Transistor As a Toxic Gas Sensor</atitle><jtitle>Journal of electronic materials</jtitle><stitle>Journal of Elec Materi</stitle><date>2021-03-01</date><risdate>2021</risdate><volume>50</volume><issue>3</issue><spage>1022</spage><epage>1031</epage><pages>1022-1031</pages><issn>0361-5235</issn><eissn>1543-186X</eissn><abstract>A fluorobenzene based single electron transistor (SET) has been investigated for the detection of toxic gases viz. NH
3
, HCN, AsH
3
, and COCl
2
, within the framework of density functional theory (DFT) formalism based first-principles approach. Initially, the adsorption mechanism between the fluorobenzene quantum dot and the toxic gases (NH
3
, HCN, AsH
3
, and COCl
2
) has been analyzed in terms of adsorption energy, distance of adsorption, DOS profiles and the charge transfer analysis. Later, the exclusive property of charge stability diagram of SET has been utilized to provide the necessary electronic fingerprints for detection of toxic gases. The results suggest that the fluorobenzene SET can be a potential sensor for proposed toxic gases based on the wide operational temperature range and high detection ability as witnessed from the electronic fingerprints.</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s11664-020-08663-0</doi><tpages>10</tpages><orcidid>https://orcid.org/0000-0002-7046-405X</orcidid></addata></record> |
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| ispartof | Journal of electronic materials, 2021-03, Vol.50 (3), p.1022-1031 |
| issn | 0361-5235 1543-186X |
| language | eng |
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| subjects | Adsorption Ammonia Characterization and Evaluation of Materials Charge transfer Chemistry and Materials Science Density functional theory Density of states Electronics and Microelectronics Fingerprints First principles Gas sensors Instrumentation Materials Science Optical and Electronic Materials Original Research Article Phosgene Quantum dots Semiconductor devices Single-electron transistors Solid State Physics Stability analysis Transistors |
| title | Investigating a Fluorobenzene Based Single Electron Transistor As a Toxic Gas Sensor |
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