2010
DOI: 10.1021/jp9115707
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p-Benzoquinone on Si(111)-7×7: [6 + 2]-like Cycloaddition

Abstract: The Covalent binding of p-benzoquinone (OC6H4O) and the formation of an aromatic ring (−OC6H4O−) on Si(111)-7×7 have been investigated by using high-resolution electron energy loss spectroscopy (HREELS), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations. For chemisorbed p-benzoquinone, the absence of v(CO) at 1659 cm−1, the retention of sp2-v(C−H) at 3050 cm−1, the appearance of v(Si−O) at 824 cm−1, and aromatic v(CC)/δip(C−H) at 1600/1505 cm−1 demonstrate that the … Show more

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Cited by 11 publications
(19 citation statements)
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“…It has been reported by Xu et al that [6+2]-like cycloaddition across a dimer is the most exothermic over several other structures. 45 However, our DFT simulation gives different results.…”
Section: ■ Results and Discussionmentioning
confidence: 86%
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“…It has been reported by Xu et al that [6+2]-like cycloaddition across a dimer is the most exothermic over several other structures. 45 However, our DFT simulation gives different results.…”
Section: ■ Results and Discussionmentioning
confidence: 86%
“…Compared with Xu's previous work, these contradictory results are caused by the fixed structure of atoms in the bulk, which is closer to reality, while in Xu's work, the whole cluster was allowed to relax substantially. 45 Transition states have not been considered at this point. Initial structures are very important in transition state study, but as mentioned before, the H−Si surface after chemical etching is fairly complex, so a more complete model of the initial structure would be strongly needed before a robust kinetic analysis is addressed.…”
Section: ■ Results and Discussionmentioning
confidence: 99%
“…Compared with single CdSe QDs, the absorbance of hybrid nanorods in the short-wavelength region is relatively high, indicating that CdS is a part of the nanorods. [18] The fluorescence peaks of rods 1 and 2 are 564 and 593 nm, respectively. Although single CdSe nanorods have already been prepared by other groups, to our knowledge there is no report of the synthesis of CdSe nanorods that utilizes another material as seed.…”
mentioning
confidence: 99%
“…[15] The development of nanocrystals from three-to two-dimensional may also increase the efficiency of QDSCs by improving the electron injection efficiency, which is moderate owing to the strong intrinsic quantum confinement of the photoexcited electrons and holes. [18,19] In general, the carriers in three-dimensional quantum dots are concentrated mainly in the central part; [20] a logical step for enhancement of the electron injection efficiency would be towards nanocrystals that can reduce the confinement of the carriers. We synthesized a new kind of CdSe nanorods, using CdS as the seed, and applied them to quantum-rod-sensitized solar cells (QRSCs), which demonstrated a greatly enhanced electron injection efficiency compared with QDSCs.…”
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confidence: 99%
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