Novel organic-inorganic composite photocatalyst offers new opportunities in the practical applications of photocatalysis. Novel visible light-induced Cr-doped Sr Ti O3–carbon nitride intercalation compound(CNIC) comp...Novel organic-inorganic composite photocatalyst offers new opportunities in the practical applications of photocatalysis. Novel visible light-induced Cr-doped Sr Ti O3–carbon nitride intercalation compound(CNIC) composite photocatalysts were synthesized. The composite photocatalyst was characterized by X-ray diffraction(XRD), field-emission scanning electron microscopy(FESEM), high-resolution transmission electron microscopy(HRTEM), Fourier transform infrared(FT-IR) spectroscopy, UV-vis diffuse reflection spectroscopy, photoluminescence(PL) spectroscopy, and BET surface area analyzer. The photocatalytic oxidation ability of the novel composite photocatalyst was evaluated using methyl orange(MO) as a target pollutant. The photocatalysts exhibited a significantly enhanced photocatalytic performance in degrading MO. For maximizing the photodegradation activity of the composite photocatalysts, the optimal CNIC content was determined. The improved photocatalytic activity of the as-prepared Cr-doped Sr Ti O3–CNIC composite photocatalyst may be attributed to the enhancement of photo-generated electron–hole separations at the interface.展开更多
Novel visible light-induced Cr-doped Sr Ti O3-g-C3N4 composite photocatalysts were synthesized by introducing polymeric g-C3N4. The composite photocatalyst was characterized by X-ray diffraction(XRD), high-resolutio...Novel visible light-induced Cr-doped Sr Ti O3-g-C3N4 composite photocatalysts were synthesized by introducing polymeric g-C3N4. The composite photocatalyst was characterized by X-ray diffraction(XRD), high-resolution transmission electron microscopy(HRTEM), Fourier transform infrared(FT-IR) spectroscopy, UV-vis diffuse reflection spectroscopy, photoluminescence(PL) spectroscopy and BET surface area measurements. The photocatalytic oxidation ability of the novel composite photocatalyst was evaluated using methyl orange(MO) as a target pollutant. The photocatalysts exhibited a significantly enhanced photocatalytic performance in degrading MO. The optimal g-C3N4 content for the photodegradation activity of the composite photocatalysts was determined. The as-prepared composite photocatalyst exhibits an improved photocatalytic activity due to enhancement of photo-generated electron-hole separation at the interface.展开更多
Cr-doped Li3V2(PO4)3 cathode materials Li3V2-xCr(PO4)3 were prepared by a carbothermal reduction(CTR) process. The properties of the Cr-doped Li3V2(PO4)3 were investigated by X-ray diffraction (XRD), scannin...Cr-doped Li3V2(PO4)3 cathode materials Li3V2-xCr(PO4)3 were prepared by a carbothermal reduction(CTR) process. The properties of the Cr-doped Li3V2(PO4)3 were investigated by X-ray diffraction (XRD), scanning electron microscopic (SEM), and electrochemical measurements Results show that the Cr-doped Li3V2(PO4)3 has the same monoclinic structure as the undoped Li3V2(PO4)3, and the particle size of Cr-doped Li3V2(PO4)3 is smaller than that of the undoped Li3V2(PO4)3 and the smallest particle size is only about 1 1μm. The Cr-doped Li3V2(PO4)3 samples were investigated on the Li extraction/insertion performances through charge/discharge, cyclic voltammogram (CV), and electrochemical impedance spectra(EIS). The optimal doping content of Cr was that x=0.04 in the Li3V2-xCrx(PO4)3 samples to achieve high discharge capacity and good cyclic stability. The electrode reaction reversibility was enhanced, and the charge transfer resistance was decreased through the Cr-doping. The improved electrochemical performances of the Cr-doped Li3V2(PO4)3 cathode materials are attributed to the addition of Cr^3+ ion by stabilizing the monoclinic structure.展开更多
The first-principles calculations were performed to investigate the electronic structure, magnetic and dielectric properties of Cr-doped Fe_3C, in comparison to those of pure Fe_3C and Cr_3C. The obtained results show...The first-principles calculations were performed to investigate the electronic structure, magnetic and dielectric properties of Cr-doped Fe_3C, in comparison to those of pure Fe_3C and Cr_3C. The obtained results show that the thermodynamic stability of Crdoped Fe_3C becomes weaker in terms of the larger formation enthalpy, on the contrary, the metallicity and covalency are found to strengthen to some extent. The magnetic moments of Fe_3C, Fe_(11)CrC_4(g), and Fe_(11)CrC_4(s) are respectively 21.36 μB/cell, 16.92 μB/cell, and 17.62 μB/cell, and in Fe_(11)CrC4(g) and Fe_(11)CrC_4(s), the Fe of Wyckoff positions of 8d and 4c is substituted by Cr. The local magnetic moment of Cr at 8d site is larger than that at 4c site in the doped structure, which is opposite to that of Fe. In low frequency band, the permittivity follows the ranking of Fe_(11)Cr C_4(s)>Cr_3C>Fe_(11)Cr C_4(g)>Fe_3C. Once exceeding a certain frequency, the sequence will be broken. Besides the electron transition, the polarization of atoms also makes a contribution to the dielectric properties.展开更多
Large crystal growth of Cr-doped h-YMnO3has been investigated by using a high pressure optical floatingzone method. The size of the grown crystals is typically 60–70 mm in length and 4–5 mm in diameter. The structur...Large crystal growth of Cr-doped h-YMnO3has been investigated by using a high pressure optical floatingzone method. The size of the grown crystals is typically 60–70 mm in length and 4–5 mm in diameter. The structure of the grown crystals is analyzed by powder X-ray diffraction and scanning electron microscopy.The defects in the as-grown crystals, including low-angle grain boundary and inclusions are studied. An off-stoichiometric phenomenon is found with a slight Cr deficiency in different parts. The relationship between defects and growth conditions during crystal growth is also discussed. The magnetic properties show spin-glass phase features with weak ferromagnetic behavior below 30 K.展开更多
Cr-doped Sr TiO_(3)/Ti-dopedα-Fe_(2)O_(3) heterojunction has been constructed by an ingenious way,i.e.using segregation titanium oxide on the surface of the Ti-dopedα-Fe_(2)O_(3) electrode to in situ prepare Cr-dope...Cr-doped Sr TiO_(3)/Ti-dopedα-Fe_(2)O_(3) heterojunction has been constructed by an ingenious way,i.e.using segregation titanium oxide on the surface of the Ti-dopedα-Fe_(2)O_(3) electrode to in situ prepare Cr-doped SrTiO_(3).After construction of the heterojunction,the photocurrent onset potential for water oxidation on a Ti4+dopedα-Fe_(2)O_(3) cathodically shifts by about 100 mV.Moreover,the cathodic shift of the onset potential can be preserved well even after a long time running.The results indicate the effectiveness and credibility of the fabricated heterojunction.In order to make clear the reason for the onset potential shift,the asprepared Ti-dopedα-Fe_(2)O_(3) and Cr-doped SrTiO_(3)/Ti-dopedα-Fe_(2)O_(3) samples were investigated by X-ray photoelectron spectroscopy,electrochemical impedance spectroscopy,X-ray diffraction spectroscopy,etc.Based on the experimental evidences,it is proposed that cathodic shift of the onset potential is mainly due to the enhanced charge separation at the photoanode surface.This strategy can offer a reference to construct heterojunction on other films especially for those with surface segregation.展开更多
Atomistic simulation has been performed to investigate the dynamical and defect properties of multiferroic hexagonal YMnO3 with newly developed interaction potentials. Dynamical calculation reveals that phonon vibrati...Atomistic simulation has been performed to investigate the dynamical and defect properties of multiferroic hexagonal YMnO3 with newly developed interaction potentials. Dynamical calculation reveals that phonon vibrations of hexagonal YMnO3 are quite different from those of orthorhombic YMnO3. Defect calculation finds that O Frenkel is the most probable intrinsic disorder, and Mn antisite defect is favorable to exist, especially for Mn ions entering the Y2 sites. It is also found that holes prefer to localize at O2sites rather than at Mn3+ sites, while the electron can be localized at the Mn3+ site. The disproportionation of Mn3+ ions is unlikely to occur in hexagonal YMnO3.展开更多
基金Project(51208102)supported by the National Natural Science Foundation of China
文摘Novel organic-inorganic composite photocatalyst offers new opportunities in the practical applications of photocatalysis. Novel visible light-induced Cr-doped Sr Ti O3–carbon nitride intercalation compound(CNIC) composite photocatalysts were synthesized. The composite photocatalyst was characterized by X-ray diffraction(XRD), field-emission scanning electron microscopy(FESEM), high-resolution transmission electron microscopy(HRTEM), Fourier transform infrared(FT-IR) spectroscopy, UV-vis diffuse reflection spectroscopy, photoluminescence(PL) spectroscopy, and BET surface area analyzer. The photocatalytic oxidation ability of the novel composite photocatalyst was evaluated using methyl orange(MO) as a target pollutant. The photocatalysts exhibited a significantly enhanced photocatalytic performance in degrading MO. For maximizing the photodegradation activity of the composite photocatalysts, the optimal CNIC content was determined. The improved photocatalytic activity of the as-prepared Cr-doped Sr Ti O3–CNIC composite photocatalyst may be attributed to the enhancement of photo-generated electron–hole separations at the interface.
基金Funded by the National Natural Science Foundation of China(No.51208102)
文摘Novel visible light-induced Cr-doped Sr Ti O3-g-C3N4 composite photocatalysts were synthesized by introducing polymeric g-C3N4. The composite photocatalyst was characterized by X-ray diffraction(XRD), high-resolution transmission electron microscopy(HRTEM), Fourier transform infrared(FT-IR) spectroscopy, UV-vis diffuse reflection spectroscopy, photoluminescence(PL) spectroscopy and BET surface area measurements. The photocatalytic oxidation ability of the novel composite photocatalyst was evaluated using methyl orange(MO) as a target pollutant. The photocatalysts exhibited a significantly enhanced photocatalytic performance in degrading MO. The optimal g-C3N4 content for the photodegradation activity of the composite photocatalysts was determined. The as-prepared composite photocatalyst exhibits an improved photocatalytic activity due to enhancement of photo-generated electron-hole separation at the interface.
基金Funded by the Guangxi Natural Science Foundation(No. 0832259)the National Basic Research Program of China (No. 2007CB613607)
文摘Cr-doped Li3V2(PO4)3 cathode materials Li3V2-xCr(PO4)3 were prepared by a carbothermal reduction(CTR) process. The properties of the Cr-doped Li3V2(PO4)3 were investigated by X-ray diffraction (XRD), scanning electron microscopic (SEM), and electrochemical measurements Results show that the Cr-doped Li3V2(PO4)3 has the same monoclinic structure as the undoped Li3V2(PO4)3, and the particle size of Cr-doped Li3V2(PO4)3 is smaller than that of the undoped Li3V2(PO4)3 and the smallest particle size is only about 1 1μm. The Cr-doped Li3V2(PO4)3 samples were investigated on the Li extraction/insertion performances through charge/discharge, cyclic voltammogram (CV), and electrochemical impedance spectra(EIS). The optimal doping content of Cr was that x=0.04 in the Li3V2-xCrx(PO4)3 samples to achieve high discharge capacity and good cyclic stability. The electrode reaction reversibility was enhanced, and the charge transfer resistance was decreased through the Cr-doping. The improved electrochemical performances of the Cr-doped Li3V2(PO4)3 cathode materials are attributed to the addition of Cr^3+ ion by stabilizing the monoclinic structure.
基金Project(51174252)supported by the Joint Funds of the National Natural Science Foundation of China
文摘The first-principles calculations were performed to investigate the electronic structure, magnetic and dielectric properties of Cr-doped Fe_3C, in comparison to those of pure Fe_3C and Cr_3C. The obtained results show that the thermodynamic stability of Crdoped Fe_3C becomes weaker in terms of the larger formation enthalpy, on the contrary, the metallicity and covalency are found to strengthen to some extent. The magnetic moments of Fe_3C, Fe_(11)CrC_4(g), and Fe_(11)CrC_4(s) are respectively 21.36 μB/cell, 16.92 μB/cell, and 17.62 μB/cell, and in Fe_(11)CrC4(g) and Fe_(11)CrC_4(s), the Fe of Wyckoff positions of 8d and 4c is substituted by Cr. The local magnetic moment of Cr at 8d site is larger than that at 4c site in the doped structure, which is opposite to that of Fe. In low frequency band, the permittivity follows the ranking of Fe_(11)Cr C_4(s)>Cr_3C>Fe_(11)Cr C_4(g)>Fe_3C. Once exceeding a certain frequency, the sequence will be broken. Besides the electron transition, the polarization of atoms also makes a contribution to the dielectric properties.
基金financial support of the National Natural Science Foundation of China (Nos. 51471135 and 51301133)the National Key Research and Development Program (No. 2016YFB1100101)Shaanxi International Cooperation Program
文摘Large crystal growth of Cr-doped h-YMnO3has been investigated by using a high pressure optical floatingzone method. The size of the grown crystals is typically 60–70 mm in length and 4–5 mm in diameter. The structure of the grown crystals is analyzed by powder X-ray diffraction and scanning electron microscopy.The defects in the as-grown crystals, including low-angle grain boundary and inclusions are studied. An off-stoichiometric phenomenon is found with a slight Cr deficiency in different parts. The relationship between defects and growth conditions during crystal growth is also discussed. The magnetic properties show spin-glass phase features with weak ferromagnetic behavior below 30 K.
基金financially supported by the National Natural Science Foundation of China(Nos.61474064 and 61504063)the Natural Science Foundation of Jiangsu Province(No.BK20150836)+2 种基金the Jiangsu National Synergetic Innovation Center for Advanced Materials(SICAM)the Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD,No.YX030003)the Synergistic Innovation Center for Organic Electronics and Information Displays。
文摘Cr-doped Sr TiO_(3)/Ti-dopedα-Fe_(2)O_(3) heterojunction has been constructed by an ingenious way,i.e.using segregation titanium oxide on the surface of the Ti-dopedα-Fe_(2)O_(3) electrode to in situ prepare Cr-doped SrTiO_(3).After construction of the heterojunction,the photocurrent onset potential for water oxidation on a Ti4+dopedα-Fe_(2)O_(3) cathodically shifts by about 100 mV.Moreover,the cathodic shift of the onset potential can be preserved well even after a long time running.The results indicate the effectiveness and credibility of the fabricated heterojunction.In order to make clear the reason for the onset potential shift,the asprepared Ti-dopedα-Fe_(2)O_(3) and Cr-doped SrTiO_(3)/Ti-dopedα-Fe_(2)O_(3) samples were investigated by X-ray photoelectron spectroscopy,electrochemical impedance spectroscopy,X-ray diffraction spectroscopy,etc.Based on the experimental evidences,it is proposed that cathodic shift of the onset potential is mainly due to the enhanced charge separation at the photoanode surface.This strategy can offer a reference to construct heterojunction on other films especially for those with surface segregation.
基金supported by the National Natural Science Foundation of China (Grant Nos. U0734001 and 50772054)the Ministry of Science and Technology of China (Grant No. 2009CB929202)
文摘Atomistic simulation has been performed to investigate the dynamical and defect properties of multiferroic hexagonal YMnO3 with newly developed interaction potentials. Dynamical calculation reveals that phonon vibrations of hexagonal YMnO3 are quite different from those of orthorhombic YMnO3. Defect calculation finds that O Frenkel is the most probable intrinsic disorder, and Mn antisite defect is favorable to exist, especially for Mn ions entering the Y2 sites. It is also found that holes prefer to localize at O2sites rather than at Mn3+ sites, while the electron can be localized at the Mn3+ site. The disproportionation of Mn3+ ions is unlikely to occur in hexagonal YMnO3.