![]() ![]() The present results could be useful to guide the design of excellent interfaces of mixed-dimensional hybrid carbon materials for various optoelectronic applications. Interestingly, electrons either remaining on CNT65 or transferred to C 70 are trapped in the higher conduction band for a while, similarly, due to slow inter-band relaxation. ![]() By contrast, in C high E 22 excitation still can lead to ultrafast electron transfer to C 70, but only a comparable amount of electrons are transferred ( ca. Differently, high E 22 excitation does not induce electron injection to C 60 in C instead, “hot” electrons produced within CNT65 will be trapped in its higher conduction band for a while because of slow inter-band relaxation. This process is ultrafast and completed within about 200 fs, which is consistent with recent experiments. In this contribution, we have employed density functional theory (DFT) and DFT-based nonadiabatic dynamics methods to explore photoinduced interfacial electron transfer processes at interfaces between a single-walled carbon nanotube with chiral index (6,5) and C 60 or C 70 (C and C We have found that with low E 11 excitation, electron transfer takes place from CNT65 to C 60 and C 70 in both heterojunctions. Table 1.Hybrid carbon materials are found to exhibit novel optoelectronic properties at their interfaces, but the related interfacial carrier dynamics is rarely explored theoretically. The resonant picks in the density of states were observed in SWNTs (Kim et al., 1999) and multiple-wall carbon nanotubes (MWNTs) (Carroll et al., 1997). The SWNT terminations attracted considerable interest once peculiar electronic states, related to the topological defects in the graphite lattice, were theoretically predicted (Tamura & Tsukada, 1995). The presence of pentagons in an SWNC apex is analogue of their occurrence in single-wall carbon nanotube (SWNT) tip topology. Fullerenes are molecular allotropes of carbon, exhibiting a wealth of interesting phenomena due to their -electron nature that can be easily manipulated by chemical means. Structure of Fullerene The basic fullerene structure is a large spherical molecule C60 and is highly symmetrical. The article has all the necessary information you need to know about fullerene. When a pentagonal defect is introduced into a graphitic sheet (graphene, GR), via the extraction of a 60º sector from this sheet, one has the formation of a cone sheet. 4.5: Polycyclic Aromatics 4.7: Chemical Properties of Aromatic Compounds Andrew R. One of the prominent fullerenes uses the development of carbon nanotubes. The occurrence of single-wall carbon nanocones (SWNCs) was used to investigate the nucleation and growth of curved carbon structures, suggesting that the presence of pentagons performs a fundamental role in processes. Interest in nanoparticles (NPs) arises from the shape-dependent physical properties of materials at nanoscale (Faraday, 1857 Murphy et al., 2010). Packing efficiencies and interaction-energy parameters of SWNCs/SWNHs are intermediate between fullerene and single-wall carbon nanotube (SWNT) clusters. Several SWNC’s terminations are studied which are different among one another because of the type of closing structure and arrangement. The SWNCs of various disclinations are investigated via energetic–structural analyses. From purely geometrical differences, bundlet (SWNCs) and droplet (fullerene) models predict different behaviours. Science of Fullerenes and Carbon Nanotubes introduces materials scientists, chemists, and solid state physicists to the field of fullerenes, and discusses. A bundlet model enables describing distribution function of SWNC clusters by size. Phenomena have a unified explanation in bundlet model in which free energy of an SWNC, involved in a cluster, is combined from two components: a volume one, proportional to number of molecules n in a cluster, and a surface one proportional to n1/2. A theory is developed based on a bundlet model describing their distribution function by size. fullerenes and carbon nanotubes, such as outstanding mechanical, thermal, electronic, and electrical properties, coupled with chemical robustness, have. AbstractThis chapter discusses the existence of single-wall carbon nanocones (SWNCs), especially nanohorns (SWNHs) in organic solvents in the form of clusters. ![]()
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