Design pollution gas sensor using graphene ribbon: density function theory (DFT)
Abstract Density Function Theory (DFT) calculation was used to find out ground and excitation states for graphene ribbons, types of adsorption, energy gap, maximum wave length and optical band gap. Adsorption energy showed that $ CO_{2} $ gas molecule had chemical adsorption in distance 1 and 1.5 An...
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| Autor*in: |
Al-Hasnawy, Ruaa. S. [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2022 |
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| Schlagwörter: |
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| Anmerkung: |
© The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 |
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| Übergeordnetes Werk: |
Enthalten in: Optical and quantum electronics - Springer US, 1975, 54(2022), 1 vom: Jan. |
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| Übergeordnetes Werk: |
volume:54 ; year:2022 ; number:1 ; month:01 |
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| DOI / URN: |
10.1007/s11082-021-03415-8 |
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| 520 | |a Abstract Density Function Theory (DFT) calculation was used to find out ground and excitation states for graphene ribbons, types of adsorption, energy gap, maximum wave length and optical band gap. Adsorption energy showed that $ CO_{2} $ gas molecule had chemical adsorption in distance 1 and 1.5 Angstrom. $ CO_{2} $ gas molecule appeared to have physical adsorption in distance 2 and 2.5 Angstrom. Adsorption energy decreased when the distance between surface and gas molecule increased. Resulting from chemical adsorption energy gap, there was a change in distance 1 and 1.5 Angstrom due to the attraction of gas molecule towards surface. Excitation energy for Nano system in samples 1 and 4 shifted to low wavelength (blue shift), changing from 1018 to 993 nm and 718 nm on series. Other sample had red shift and the energy gap became open. The result showed that graphene ribbon sensed carbon dioxide gas ($ CO_{2} $). | ||
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10.1007/s11082-021-03415-8 doi (DE-627)OLC2077704578 (DE-He213)s11082-021-03415-8-p DE-627 ger DE-627 rakwb eng 500 620 VZ Al-Hasnawy, Ruaa. S. verfasserin aut Design pollution gas sensor using graphene ribbon: density function theory (DFT) 2022 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 Abstract Density Function Theory (DFT) calculation was used to find out ground and excitation states for graphene ribbons, types of adsorption, energy gap, maximum wave length and optical band gap. Adsorption energy showed that $ CO_{2} $ gas molecule had chemical adsorption in distance 1 and 1.5 Angstrom. $ CO_{2} $ gas molecule appeared to have physical adsorption in distance 2 and 2.5 Angstrom. Adsorption energy decreased when the distance between surface and gas molecule increased. Resulting from chemical adsorption energy gap, there was a change in distance 1 and 1.5 Angstrom due to the attraction of gas molecule towards surface. Excitation energy for Nano system in samples 1 and 4 shifted to low wavelength (blue shift), changing from 1018 to 993 nm and 718 nm on series. Other sample had red shift and the energy gap became open. The result showed that graphene ribbon sensed carbon dioxide gas ($ CO_{2} $). Adsorption energy DFT Energy gap HOMO LUMO Shaker, Ali S. aut Albosaabar, Muntather H. (orcid)0000-0003-2054-9650 aut AlMaamouri, Zahraa A. aut Al-taee, Hamed A. aut Enthalten in Optical and quantum electronics Springer US, 1975 54(2022), 1 vom: Jan. (DE-627)129419540 (DE-600)189950-8 (DE-576)014796139 0306-8919 nnns volume:54 year:2022 number:1 month:01 https://doi.org/10.1007/s11082-021-03415-8 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY AR 54 2022 1 01 |
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10.1007/s11082-021-03415-8 doi (DE-627)OLC2077704578 (DE-He213)s11082-021-03415-8-p DE-627 ger DE-627 rakwb eng 500 620 VZ Al-Hasnawy, Ruaa. S. verfasserin aut Design pollution gas sensor using graphene ribbon: density function theory (DFT) 2022 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 Abstract Density Function Theory (DFT) calculation was used to find out ground and excitation states for graphene ribbons, types of adsorption, energy gap, maximum wave length and optical band gap. Adsorption energy showed that $ CO_{2} $ gas molecule had chemical adsorption in distance 1 and 1.5 Angstrom. $ CO_{2} $ gas molecule appeared to have physical adsorption in distance 2 and 2.5 Angstrom. Adsorption energy decreased when the distance between surface and gas molecule increased. Resulting from chemical adsorption energy gap, there was a change in distance 1 and 1.5 Angstrom due to the attraction of gas molecule towards surface. Excitation energy for Nano system in samples 1 and 4 shifted to low wavelength (blue shift), changing from 1018 to 993 nm and 718 nm on series. Other sample had red shift and the energy gap became open. The result showed that graphene ribbon sensed carbon dioxide gas ($ CO_{2} $). Adsorption energy DFT Energy gap HOMO LUMO Shaker, Ali S. aut Albosaabar, Muntather H. (orcid)0000-0003-2054-9650 aut AlMaamouri, Zahraa A. aut Al-taee, Hamed A. aut Enthalten in Optical and quantum electronics Springer US, 1975 54(2022), 1 vom: Jan. (DE-627)129419540 (DE-600)189950-8 (DE-576)014796139 0306-8919 nnns volume:54 year:2022 number:1 month:01 https://doi.org/10.1007/s11082-021-03415-8 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY AR 54 2022 1 01 |
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10.1007/s11082-021-03415-8 doi (DE-627)OLC2077704578 (DE-He213)s11082-021-03415-8-p DE-627 ger DE-627 rakwb eng 500 620 VZ Al-Hasnawy, Ruaa. S. verfasserin aut Design pollution gas sensor using graphene ribbon: density function theory (DFT) 2022 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 Abstract Density Function Theory (DFT) calculation was used to find out ground and excitation states for graphene ribbons, types of adsorption, energy gap, maximum wave length and optical band gap. Adsorption energy showed that $ CO_{2} $ gas molecule had chemical adsorption in distance 1 and 1.5 Angstrom. $ CO_{2} $ gas molecule appeared to have physical adsorption in distance 2 and 2.5 Angstrom. Adsorption energy decreased when the distance between surface and gas molecule increased. Resulting from chemical adsorption energy gap, there was a change in distance 1 and 1.5 Angstrom due to the attraction of gas molecule towards surface. Excitation energy for Nano system in samples 1 and 4 shifted to low wavelength (blue shift), changing from 1018 to 993 nm and 718 nm on series. Other sample had red shift and the energy gap became open. The result showed that graphene ribbon sensed carbon dioxide gas ($ CO_{2} $). Adsorption energy DFT Energy gap HOMO LUMO Shaker, Ali S. aut Albosaabar, Muntather H. (orcid)0000-0003-2054-9650 aut AlMaamouri, Zahraa A. aut Al-taee, Hamed A. aut Enthalten in Optical and quantum electronics Springer US, 1975 54(2022), 1 vom: Jan. (DE-627)129419540 (DE-600)189950-8 (DE-576)014796139 0306-8919 nnns volume:54 year:2022 number:1 month:01 https://doi.org/10.1007/s11082-021-03415-8 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY AR 54 2022 1 01 |
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10.1007/s11082-021-03415-8 doi (DE-627)OLC2077704578 (DE-He213)s11082-021-03415-8-p DE-627 ger DE-627 rakwb eng 500 620 VZ Al-Hasnawy, Ruaa. S. verfasserin aut Design pollution gas sensor using graphene ribbon: density function theory (DFT) 2022 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 Abstract Density Function Theory (DFT) calculation was used to find out ground and excitation states for graphene ribbons, types of adsorption, energy gap, maximum wave length and optical band gap. Adsorption energy showed that $ CO_{2} $ gas molecule had chemical adsorption in distance 1 and 1.5 Angstrom. $ CO_{2} $ gas molecule appeared to have physical adsorption in distance 2 and 2.5 Angstrom. Adsorption energy decreased when the distance between surface and gas molecule increased. Resulting from chemical adsorption energy gap, there was a change in distance 1 and 1.5 Angstrom due to the attraction of gas molecule towards surface. Excitation energy for Nano system in samples 1 and 4 shifted to low wavelength (blue shift), changing from 1018 to 993 nm and 718 nm on series. Other sample had red shift and the energy gap became open. The result showed that graphene ribbon sensed carbon dioxide gas ($ CO_{2} $). Adsorption energy DFT Energy gap HOMO LUMO Shaker, Ali S. aut Albosaabar, Muntather H. (orcid)0000-0003-2054-9650 aut AlMaamouri, Zahraa A. aut Al-taee, Hamed A. aut Enthalten in Optical and quantum electronics Springer US, 1975 54(2022), 1 vom: Jan. (DE-627)129419540 (DE-600)189950-8 (DE-576)014796139 0306-8919 nnns volume:54 year:2022 number:1 month:01 https://doi.org/10.1007/s11082-021-03415-8 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY AR 54 2022 1 01 |
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Abstract Density Function Theory (DFT) calculation was used to find out ground and excitation states for graphene ribbons, types of adsorption, energy gap, maximum wave length and optical band gap. Adsorption energy showed that $ CO_{2} $ gas molecule had chemical adsorption in distance 1 and 1.5 Angstrom. $ CO_{2} $ gas molecule appeared to have physical adsorption in distance 2 and 2.5 Angstrom. Adsorption energy decreased when the distance between surface and gas molecule increased. Resulting from chemical adsorption energy gap, there was a change in distance 1 and 1.5 Angstrom due to the attraction of gas molecule towards surface. Excitation energy for Nano system in samples 1 and 4 shifted to low wavelength (blue shift), changing from 1018 to 993 nm and 718 nm on series. Other sample had red shift and the energy gap became open. The result showed that graphene ribbon sensed carbon dioxide gas ($ CO_{2} $). © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 |
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Abstract Density Function Theory (DFT) calculation was used to find out ground and excitation states for graphene ribbons, types of adsorption, energy gap, maximum wave length and optical band gap. Adsorption energy showed that $ CO_{2} $ gas molecule had chemical adsorption in distance 1 and 1.5 Angstrom. $ CO_{2} $ gas molecule appeared to have physical adsorption in distance 2 and 2.5 Angstrom. Adsorption energy decreased when the distance between surface and gas molecule increased. Resulting from chemical adsorption energy gap, there was a change in distance 1 and 1.5 Angstrom due to the attraction of gas molecule towards surface. Excitation energy for Nano system in samples 1 and 4 shifted to low wavelength (blue shift), changing from 1018 to 993 nm and 718 nm on series. Other sample had red shift and the energy gap became open. The result showed that graphene ribbon sensed carbon dioxide gas ($ CO_{2} $). © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 |
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Abstract Density Function Theory (DFT) calculation was used to find out ground and excitation states for graphene ribbons, types of adsorption, energy gap, maximum wave length and optical band gap. Adsorption energy showed that $ CO_{2} $ gas molecule had chemical adsorption in distance 1 and 1.5 Angstrom. $ CO_{2} $ gas molecule appeared to have physical adsorption in distance 2 and 2.5 Angstrom. Adsorption energy decreased when the distance between surface and gas molecule increased. Resulting from chemical adsorption energy gap, there was a change in distance 1 and 1.5 Angstrom due to the attraction of gas molecule towards surface. Excitation energy for Nano system in samples 1 and 4 shifted to low wavelength (blue shift), changing from 1018 to 993 nm and 718 nm on series. Other sample had red shift and the energy gap became open. The result showed that graphene ribbon sensed carbon dioxide gas ($ CO_{2} $). © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 |
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Design pollution gas sensor using graphene ribbon: density function theory (DFT) |
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Shaker, Ali S. Albosaabar, Muntather H. AlMaamouri, Zahraa A. Al-taee, Hamed A. |
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