Carbonyl sulfide gas detection by pure, Zn- and Cd-decorated AlP nano-sheet
Density functional theory was used for investigating the effect of decorating the transitions metals Zn and Cd on the capability of an AlP nano-sheet (AlPNS) in detecting the gas COS. The interaction of the pure AlPNS with COS was a physisorption, and the sensing response of the AlPNS was approximat...
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| Veröffentlicht in: | Monatshefte für Chemie 2022-10, Vol.153 (10), p.873-880 |
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| creator | Dwijendra, Ngakan Ketut Acwin Patra, Indrajit Ahmed, Yehya M. Hasan, Yaser Mohamed Najm, Zainab Mohsen Al Mashhadani, Zuhair I. Kumar, A. |
| description | Density functional theory was used for investigating the effect of decorating the transitions metals Zn and Cd on the capability of an AlP nano-sheet (AlPNS) in detecting the gas COS. The interaction of the pure AlPNS with COS was a physisorption, and the sensing response of the AlPNS was approximately 8.4. The adsorption energy of COS changed from − 25.1 to − 92.8 and − 96.1 kJ/mol by decorating Zn and Cd onto the surface of the AlPNS, respectively. Also, the corresponding sensing response increased significantly to 52.3 and 80.9, indicating that by increasing the atomic number of metals, the sensitivity of the metal-decorated AlPNS increased. Therefore, compared to Zn, decorating Cd increased the sensitivity of the AlPNS to the COS molecule significantly more, which had a short recovery time of approximately 5.8 s. Our theoretical results further supported the fact that metal-decorated AlP nanostructures can have widespread practical applications.
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| doi_str_mv | 10.1007/s00706-022-02961-5 |
| format | Article |
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Graphical abstract</description><subject>Analytical Chemistry</subject><subject>Atomic properties</subject><subject>Carbonyl sulfide</subject><subject>Carbonyls</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Chemistry/Food Science</subject><subject>Decoration</subject><subject>Density functional theory</subject><subject>Inorganic Chemistry</subject><subject>Organic Chemistry</subject><subject>Original Paper</subject><subject>Physical Chemistry</subject><subject>Recovery time</subject><subject>Sensitivity</subject><subject>Theoretical and Computational Chemistry</subject><subject>Zinc</subject><issn>0026-9247</issn><issn>1434-4475</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp9kE1LAzEQhoMoWKt_wFPAq9GZJPt1LItWsaAHvXgJ2SRbW9ZsTXYP_femruDNw8ww8Dwz8BJyiXCDAMVtTA1yBpynqnJk2RGZoRSSSVlkx2QGwHNWcVmckrMYt5B2CWJGnmodmt7vOxrHrt1YR9c6UusGZ4ZN72mzp7sxuGv67hnV3tLaMutMH_TgLF10L9Rr37P44dxwTk5a3UV38Tvn5O3-7rV-YKvn5WO9WDEjsBpYXlrkLchGY1k0ojCAwnANAnRrSshs3pRZIioUVmCTozS2FGC0bWyRJDEnV9PdXei_RhcHte3H4NNLxQvMUGBWHig-USb0MQbXql3YfOqwVwjqEJqaQlMpNPUTmsqSJCYpJtivXfg7_Y_1DbxybYA</recordid><startdate>20221001</startdate><enddate>20221001</enddate><creator>Dwijendra, Ngakan Ketut Acwin</creator><creator>Patra, Indrajit</creator><creator>Ahmed, Yehya M.</creator><creator>Hasan, Yaser Mohamed</creator><creator>Najm, Zainab Mohsen</creator><creator>Al Mashhadani, Zuhair I.</creator><creator>Kumar, A.</creator><general>Springer Vienna</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20221001</creationdate><title>Carbonyl sulfide gas detection by pure, Zn- and Cd-decorated AlP nano-sheet</title><author>Dwijendra, Ngakan Ketut Acwin ; Patra, Indrajit ; Ahmed, Yehya M. ; Hasan, Yaser Mohamed ; Najm, Zainab Mohsen ; Al Mashhadani, Zuhair I. ; Kumar, A.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c319t-68d12f04ba187b37c013c2a030afc805d6b8512f913d31b614cd830cadbd7ba13</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Analytical Chemistry</topic><topic>Atomic properties</topic><topic>Carbonyl sulfide</topic><topic>Carbonyls</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Chemistry/Food Science</topic><topic>Decoration</topic><topic>Density functional theory</topic><topic>Inorganic Chemistry</topic><topic>Organic Chemistry</topic><topic>Original Paper</topic><topic>Physical Chemistry</topic><topic>Recovery time</topic><topic>Sensitivity</topic><topic>Theoretical and Computational Chemistry</topic><topic>Zinc</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Dwijendra, Ngakan Ketut Acwin</creatorcontrib><creatorcontrib>Patra, Indrajit</creatorcontrib><creatorcontrib>Ahmed, Yehya M.</creatorcontrib><creatorcontrib>Hasan, Yaser Mohamed</creatorcontrib><creatorcontrib>Najm, Zainab Mohsen</creatorcontrib><creatorcontrib>Al Mashhadani, Zuhair I.</creatorcontrib><creatorcontrib>Kumar, A.</creatorcontrib><collection>CrossRef</collection><jtitle>Monatshefte für Chemie</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Dwijendra, Ngakan Ketut Acwin</au><au>Patra, Indrajit</au><au>Ahmed, Yehya M.</au><au>Hasan, Yaser Mohamed</au><au>Najm, Zainab Mohsen</au><au>Al Mashhadani, Zuhair I.</au><au>Kumar, A.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Carbonyl sulfide gas detection by pure, Zn- and Cd-decorated AlP nano-sheet</atitle><jtitle>Monatshefte für Chemie</jtitle><stitle>Monatsh Chem</stitle><date>2022-10-01</date><risdate>2022</risdate><volume>153</volume><issue>10</issue><spage>873</spage><epage>880</epage><pages>873-880</pages><issn>0026-9247</issn><eissn>1434-4475</eissn><abstract>Density functional theory was used for investigating the effect of decorating the transitions metals Zn and Cd on the capability of an AlP nano-sheet (AlPNS) in detecting the gas COS. The interaction of the pure AlPNS with COS was a physisorption, and the sensing response of the AlPNS was approximately 8.4. The adsorption energy of COS changed from − 25.1 to − 92.8 and − 96.1 kJ/mol by decorating Zn and Cd onto the surface of the AlPNS, respectively. Also, the corresponding sensing response increased significantly to 52.3 and 80.9, indicating that by increasing the atomic number of metals, the sensitivity of the metal-decorated AlPNS increased. Therefore, compared to Zn, decorating Cd increased the sensitivity of the AlPNS to the COS molecule significantly more, which had a short recovery time of approximately 5.8 s. Our theoretical results further supported the fact that metal-decorated AlP nanostructures can have widespread practical applications.
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| subjects | Analytical Chemistry Atomic properties Carbonyl sulfide Carbonyls Chemistry Chemistry and Materials Science Chemistry/Food Science Decoration Density functional theory Inorganic Chemistry Organic Chemistry Original Paper Physical Chemistry Recovery time Sensitivity Theoretical and Computational Chemistry Zinc |
| title | Carbonyl sulfide gas detection by pure, Zn- and Cd-decorated AlP nano-sheet |
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