A novel visible light active photo-catalyst named CHC/C-PVA/TiO2, the composite of titanium dioxide（TiO2）with conjugated derivative of polyvinyl alcohol（C-PVA） loaded on a cordierite honeycomb ceramic（CHC）substr...A novel visible light active photo-catalyst named CHC/C-PVA/TiO2, the composite of titanium dioxide（TiO2）with conjugated derivative of polyvinyl alcohol（C-PVA） loaded on a cordierite honeycomb ceramic（CHC）substrate, was fabricated by combining the synthesis of TiO2 sol, preparation of C-PVA via thermally treating polyvinyl alcohol, and immobilization of TiO2 sol and C-PVA on CHC. By detecting the change of UV–vis absorption spectra of the model organic pollutant（methyl orange（MO）） in the presence of the composite under visible light irradiation, the photo-catalytic activity was evaluated and the results show that the CHC/C-PVA/TiO2 composite has an enhanced photo-catalytic activity when compared to the CHC/TiO2 composite. Besides, the CHC/C-PVA/TiO2 shows a good photo-catalytic stability after the fourth cycles. The structure analyses by scanning electron microscope（SEM） and energy dispersive X-ray spectroscopy（EDS） show the coexistence of C-PVA and TiO2 on the CHC and the cracks on the surface of CHC/C-PVA/TiO2. Result of ultraviolet-visible diffuse reflection spectroscopy（UV–vis DRS） reveals that the CHC/C-PVA/TiO2 can absorb both ultraviolet and visible light while result of X-ray photoelectron spectroscopy（XPS） indicates the existence of C, O and Ti elements in the CHC/C-PVA/TiO2. The typical structures as well as the optical characteristics of the CHC/C-PVA/TiO2 are responsible for the enhancement in the photo-catalytic activity.展开更多
A global potential energy surface(PES)of the ground state of SiH_(2)^(+) system is built by using neural network method based on 18223 ab initio points.The topographic properties of PES are presented and compared with...A global potential energy surface(PES)of the ground state of SiH_(2)^(+) system is built by using neural network method based on 18223 ab initio points.The topographic properties of PES are presented and compared with previous theoretical and experimental studies.The results indicate that the spectroscopic parameters obtained from the new PES are in good agreement with the experimental data.In order to further verify the validity of the new PES,a test dynamics calculation of the Si^(+)+H_(2)(v_(0)=2,j_(0)=0)→H+SiH^(+)reaction has been carried out by using the time-dependent wave packet method.The integral cross sections and rate constants are computed for the title reaction.The reasonable dynamical behavior indicates that the newly constructed PES is suitable for relevant dynamics investigations.展开更多
基金the National Natural Science Foundation of China(Grant nos.50573052 and 51173116)for supporting this research
文摘A novel visible light active photo-catalyst named CHC/C-PVA/TiO2, the composite of titanium dioxide（TiO2）with conjugated derivative of polyvinyl alcohol（C-PVA） loaded on a cordierite honeycomb ceramic（CHC）substrate, was fabricated by combining the synthesis of TiO2 sol, preparation of C-PVA via thermally treating polyvinyl alcohol, and immobilization of TiO2 sol and C-PVA on CHC. By detecting the change of UV–vis absorption spectra of the model organic pollutant（methyl orange（MO）） in the presence of the composite under visible light irradiation, the photo-catalytic activity was evaluated and the results show that the CHC/C-PVA/TiO2 composite has an enhanced photo-catalytic activity when compared to the CHC/TiO2 composite. Besides, the CHC/C-PVA/TiO2 shows a good photo-catalytic stability after the fourth cycles. The structure analyses by scanning electron microscope（SEM） and energy dispersive X-ray spectroscopy（EDS） show the coexistence of C-PVA and TiO2 on the CHC and the cracks on the surface of CHC/C-PVA/TiO2. Result of ultraviolet-visible diffuse reflection spectroscopy（UV–vis DRS） reveals that the CHC/C-PVA/TiO2 can absorb both ultraviolet and visible light while result of X-ray photoelectron spectroscopy（XPS） indicates the existence of C, O and Ti elements in the CHC/C-PVA/TiO2. The typical structures as well as the optical characteristics of the CHC/C-PVA/TiO2 are responsible for the enhancement in the photo-catalytic activity.
基金supported by Key Projects of Science and Technology in the 13th Five Year Plan of Jilin Provincial Department of Education,China(Grant No.JJKH20200482KJ)。
文摘A global potential energy surface(PES)of the ground state of SiH_(2)^(+) system is built by using neural network method based on 18223 ab initio points.The topographic properties of PES are presented and compared with previous theoretical and experimental studies.The results indicate that the spectroscopic parameters obtained from the new PES are in good agreement with the experimental data.In order to further verify the validity of the new PES,a test dynamics calculation of the Si^(+)+H_(2)(v_(0)=2,j_(0)=0)→H+SiH^(+)reaction has been carried out by using the time-dependent wave packet method.The integral cross sections and rate constants are computed for the title reaction.The reasonable dynamical behavior indicates that the newly constructed PES is suitable for relevant dynamics investigations.
