Size and refinement edge-shape effects of graphene quantum dots on UV–visible absorption
Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the si...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Zhang, Ruiqiang [verfasserIn] Qi, Shifei [verfasserIn] Jia, Jianfeng [verfasserIn] Torre, Bryna [verfasserIn] Zeng, Hao [verfasserIn] Wu, Haishun [verfasserIn] Xu, Xiaohong [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2014 |
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| Schlagwörter: |
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| Übergeordnetes Werk: |
Enthalten in: Journal of alloys and compounds - Lausanne : Elsevier, 1991, 623, Seite 186-191 |
|---|---|
| Übergeordnetes Werk: |
volume:623 ; pages:186-191 |
| DOI / URN: |
10.1016/j.jallcom.2014.10.105 |
|---|
| Katalog-ID: |
ELV013236687 |
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| 520 | |a Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices. | ||
| 650 | 4 | |a Nanostructured materials | |
| 650 | 4 | |a Computer simulations | |
| 650 | 4 | |a Optical properties | |
| 700 | 1 | |a Qi, Shifei |e verfasserin |4 aut | |
| 700 | 1 | |a Jia, Jianfeng |e verfasserin |4 aut | |
| 700 | 1 | |a Torre, Bryna |e verfasserin |4 aut | |
| 700 | 1 | |a Zeng, Hao |e verfasserin |4 aut | |
| 700 | 1 | |a Wu, Haishun |e verfasserin |4 aut | |
| 700 | 1 | |a Xu, Xiaohong |e verfasserin |4 aut | |
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10.1016/j.jallcom.2014.10.105 doi (DE-627)ELV013236687 (ELSEVIER)S0925-8388(14)02534-1 DE-627 ger DE-627 rda eng 670 540 VZ 51.54 bkl 33.61 bkl 35.90 bkl Zhang, Ruiqiang verfasserin aut Size and refinement edge-shape effects of graphene quantum dots on UV–visible absorption 2014 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices. Nanostructured materials Computer simulations Optical properties Qi, Shifei verfasserin aut Jia, Jianfeng verfasserin aut Torre, Bryna verfasserin aut Zeng, Hao verfasserin aut Wu, Haishun verfasserin aut Xu, Xiaohong verfasserin aut Enthalten in Journal of alloys and compounds Lausanne : Elsevier, 1991 623, Seite 186-191 Online-Ressource (DE-627)320504646 (DE-600)2012675-X (DE-576)098615009 nnns volume:623 pages:186-191 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 51.54 Nichteisenmetalle und ihre Legierungen VZ 33.61 Festkörperphysik VZ 35.90 Festkörperchemie VZ AR 623 186-191 |
| spelling |
10.1016/j.jallcom.2014.10.105 doi (DE-627)ELV013236687 (ELSEVIER)S0925-8388(14)02534-1 DE-627 ger DE-627 rda eng 670 540 VZ 51.54 bkl 33.61 bkl 35.90 bkl Zhang, Ruiqiang verfasserin aut Size and refinement edge-shape effects of graphene quantum dots on UV–visible absorption 2014 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices. Nanostructured materials Computer simulations Optical properties Qi, Shifei verfasserin aut Jia, Jianfeng verfasserin aut Torre, Bryna verfasserin aut Zeng, Hao verfasserin aut Wu, Haishun verfasserin aut Xu, Xiaohong verfasserin aut Enthalten in Journal of alloys and compounds Lausanne : Elsevier, 1991 623, Seite 186-191 Online-Ressource (DE-627)320504646 (DE-600)2012675-X (DE-576)098615009 nnns volume:623 pages:186-191 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 51.54 Nichteisenmetalle und ihre Legierungen VZ 33.61 Festkörperphysik VZ 35.90 Festkörperchemie VZ AR 623 186-191 |
| allfields_unstemmed |
10.1016/j.jallcom.2014.10.105 doi (DE-627)ELV013236687 (ELSEVIER)S0925-8388(14)02534-1 DE-627 ger DE-627 rda eng 670 540 VZ 51.54 bkl 33.61 bkl 35.90 bkl Zhang, Ruiqiang verfasserin aut Size and refinement edge-shape effects of graphene quantum dots on UV–visible absorption 2014 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices. Nanostructured materials Computer simulations Optical properties Qi, Shifei verfasserin aut Jia, Jianfeng verfasserin aut Torre, Bryna verfasserin aut Zeng, Hao verfasserin aut Wu, Haishun verfasserin aut Xu, Xiaohong verfasserin aut Enthalten in Journal of alloys and compounds Lausanne : Elsevier, 1991 623, Seite 186-191 Online-Ressource (DE-627)320504646 (DE-600)2012675-X (DE-576)098615009 nnns volume:623 pages:186-191 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 51.54 Nichteisenmetalle und ihre Legierungen VZ 33.61 Festkörperphysik VZ 35.90 Festkörperchemie VZ AR 623 186-191 |
| allfieldsGer |
10.1016/j.jallcom.2014.10.105 doi (DE-627)ELV013236687 (ELSEVIER)S0925-8388(14)02534-1 DE-627 ger DE-627 rda eng 670 540 VZ 51.54 bkl 33.61 bkl 35.90 bkl Zhang, Ruiqiang verfasserin aut Size and refinement edge-shape effects of graphene quantum dots on UV–visible absorption 2014 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices. Nanostructured materials Computer simulations Optical properties Qi, Shifei verfasserin aut Jia, Jianfeng verfasserin aut Torre, Bryna verfasserin aut Zeng, Hao verfasserin aut Wu, Haishun verfasserin aut Xu, Xiaohong verfasserin aut Enthalten in Journal of alloys and compounds Lausanne : Elsevier, 1991 623, Seite 186-191 Online-Ressource (DE-627)320504646 (DE-600)2012675-X (DE-576)098615009 nnns volume:623 pages:186-191 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 51.54 Nichteisenmetalle und ihre Legierungen VZ 33.61 Festkörperphysik VZ 35.90 Festkörperchemie VZ AR 623 186-191 |
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Size and refinement edge-shape effects of graphene quantum dots on UV–visible absorption |
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Zhang, Ruiqiang |
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Zhang, Ruiqiang Qi, Shifei Jia, Jianfeng Torre, Bryna Zeng, Hao Wu, Haishun Xu, Xiaohong |
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size and refinement edge-shape effects of graphene quantum dots on uv–visible absorption |
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Size and refinement edge-shape effects of graphene quantum dots on UV–visible absorption |
| abstract |
Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices. |
| abstractGer |
Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices. |
| abstract_unstemmed |
Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices. |
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