Photocatalytic degradation is one of the most promising remediation technologies in terms of advanced oxidation processes(AOPs) for water treatment. In this study, novel graphitic carbon nitride/titanium dioxide(gC3N4...Photocatalytic degradation is one of the most promising remediation technologies in terms of advanced oxidation processes(AOPs) for water treatment. In this study, novel graphitic carbon nitride/titanium dioxide(gC3N4/Ti O2) composites were synthesized by a facile sonication method. The physicochemical properties of the photocatalyst with different mass ratios of g-C3N4 to Ti O2 were investigated by X-ray diffraction(XRD), scanning electron microscope(SEM), transmission electron microscopy(TEM), N2 sorption, Fourier transform infrared spectroscopy(FT-IR), X-ray photoelectron spectroscopy(XPS), and UV–vis DRS. The photocatalytic performances were evaluated by degradation of methylene blue. It was found that g-C3N4/Ti O2 with a mass ratio of 1.5:1 exhibited the best degradation performance. Under UV, the degradation rate of g-C3N4/Ti O2 was 6.92 and 2.65 times higher than g-C3N4 and Ti O2, respectively. While under visible light, the enhancement factors became 9.27(to g-C3N4) and 7.03(to Ti O2). The improved photocatalytic activity was ascribed to the interfacial charge transfer between g-C3N4 and Ti O2. This work suggests that hybridization can produce promising solar materials for environmental remediation.展开更多
The 1-（3-methoxycarbonyl） propyl-1-phenyl-（6,6）C61 （also called PCBM） is a C60 derivative widely used as an electron-acceptor in organic solar cells. To date, all the infrared spectra reported are experimental, ...The 1-（3-methoxycarbonyl） propyl-1-phenyl-（6,6）C61 （also called PCBM） is a C60 derivative widely used as an electron-acceptor in organic solar cells. To date, all the infrared spectra reported are experimental, mainly because of the calculations needed to study these structures are highly time-consuming. In this report we address for the first time the infrared spectrum calculation of PCBM with Cs symmetry by using the PW91/dnp level as implemented in the Dmol3 code. In this calculation we have found two intense peaks in the IR spectrum, that agree fairly with the 1187 and 1787 cm^-1 measured experimentally.展开更多
基金Supported by the Innovative Research Team Program by the Ministry of Education of China(IRT13070)the Nature Science Foundation of Jiangsu Province(BK2012423,BK20130925)the Opening Project of State Key Laboratory of Materials-Oriented Chemical Engineering of China(KL13-02)
文摘Photocatalytic degradation is one of the most promising remediation technologies in terms of advanced oxidation processes(AOPs) for water treatment. In this study, novel graphitic carbon nitride/titanium dioxide(gC3N4/Ti O2) composites were synthesized by a facile sonication method. The physicochemical properties of the photocatalyst with different mass ratios of g-C3N4 to Ti O2 were investigated by X-ray diffraction(XRD), scanning electron microscope(SEM), transmission electron microscopy(TEM), N2 sorption, Fourier transform infrared spectroscopy(FT-IR), X-ray photoelectron spectroscopy(XPS), and UV–vis DRS. The photocatalytic performances were evaluated by degradation of methylene blue. It was found that g-C3N4/Ti O2 with a mass ratio of 1.5:1 exhibited the best degradation performance. Under UV, the degradation rate of g-C3N4/Ti O2 was 6.92 and 2.65 times higher than g-C3N4 and Ti O2, respectively. While under visible light, the enhancement factors became 9.27(to g-C3N4) and 7.03(to Ti O2). The improved photocatalytic activity was ascribed to the interfacial charge transfer between g-C3N4 and Ti O2. This work suggests that hybridization can produce promising solar materials for environmental remediation.
文摘The 1-（3-methoxycarbonyl） propyl-1-phenyl-（6,6）C61 （also called PCBM） is a C60 derivative widely used as an electron-acceptor in organic solar cells. To date, all the infrared spectra reported are experimental, mainly because of the calculations needed to study these structures are highly time-consuming. In this report we address for the first time the infrared spectrum calculation of PCBM with Cs symmetry by using the PW91/dnp level as implemented in the Dmol3 code. In this calculation we have found two intense peaks in the IR spectrum, that agree fairly with the 1187 and 1787 cm^-1 measured experimentally.
