Exciton Characteristics in Carbon Nitride and Graphene Quantum Dots
Research output: Conference Papers (RGC: 31A, 31B, 32, 33) › 33_Other conference paper › peer-review
Author(s)
Related Research Unit(s)
Detail(s)
| Original language | English |
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| Publication status | Presented - 5 Mar 2019 |
Conference
| Title | American Physical Society March Meeting 2019 (APS March Meeting 2019) |
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| Place | United States |
| City | Boston |
| Period | 4 - 8 March 2019 |
Link(s)
| Document Link | Links
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| Permanent Link | https://scholars.cityu.edu.hk/en/publications/publication(afe7e0f0-9f9a-4ab2-8478-1dd6ccd67d61).html |
Abstract
Graphene quantum dots (GQDs) and Carbon nitride quantum dots (CNQDs), the latest addition to the carbon material family, promise numerous novel applications in optical sensing, photo-catalysis, bio-sensing, and photovoltaics. However, understanding the photocatalytic capability of CNQDs compared to the graphene quantum dots (GQDs) have not been investigated thoroughly. Time-dependent density functional tight binding (TD-DFTB) calculations in this work revealed that CNQDs have superior carrier charge separation, sensitive to the size of the QD. Strong localization of the frontier molecular orbitals (FMOs and excited state charge separation was observed in the first excited state due to the relaxation of the structure. The exciton structure reveals spatial confinement to the stretched C-N bonds independent of the size of the QDs while there is no such exciton structure found for GQDs. The optical absorption and emission of CNQDs is sensitive to size, with no dependence on the shape of the QD.
Bibliographic Note
Research Unit(s) information for this publication is provided by the author(s) concerned.
Citation Format(s)
Exciton Characteristics in Carbon Nitride and Graphene Quantum Dots. / ULLAH, Naeem; CHEN, Shunwei; ZHANG, Ruiqin.
2019. American Physical Society March Meeting 2019 (APS March Meeting 2019), Boston, Massachusetts, United States.Research output: Conference Papers (RGC: 31A, 31B, 32, 33) › 33_Other conference paper › peer-review
