Abstract:
:We examine the quantum confinement in the photoemission ionization energy in air and optical band gap of carbon nanoparticles (CNPs). Premixed, stretched-stabilized ethylene flames are used to generate the CNPs reproducibly over the range of 4-23 nm in volume median diameter. The results reveal that flame-formed CNPs behave like an indirect band gap material, and that the existence of the optical band gap is attributed to the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap in the polycyclic aromatic hydrocarbons comprising the CNPs. Both the ionization energy and optical band gap are found to follow closely the quantum confinement effect. The optical band gaps, measured both in situ and ex situ on the CNPs prepared in several additional flames, are consistent with the theory and the baseline data of CNPs from stretched-stabilized ethylene flames, thus indicating the observed effect to be general and that the particle size is the single most important factor governing the variation of the band gap of the CNPs studied. Cyclic voltammetry measurements and density functional theory calculations provide additional support for the quantum dot behavior observed.
journal_name
Proc Natl Acad Sci U S Aauthors
Liu C,Singh AV,Saggese C,Tang Q,Chen D,Wan K,Vinciguerra M,Commodo M,De Falco G,Minutolo P,D'Anna A,Wang Hdoi
10.1073/pnas.1900205116subject
Has Abstractpub_date
2019-06-25 00:00:00pages
12692-12697issue
26eissn
0027-8424issn
1091-6490pii
1900205116journal_volume
116pub_type
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