SnO2-glaze composites were prepared by Sb-doped SnO2 and SiO2-CaO-Al2O3-B2O3 glaze. The composites changed from an electrical insulator to a conductor as the SnO2 content increased from Owt% to 90 wt% . The complex im...SnO2-glaze composites were prepared by Sb-doped SnO2 and SiO2-CaO-Al2O3-B2O3 glaze. The composites changed from an electrical insulator to a conductor as the SnO2 content increased from Owt% to 90 wt% . The complex impedance spectra of the fabricated composites were investigated in the frequency range of 100Hz-40 MHz and three kinds of typical shape of complex impedance spectra were recorded and analyzed. The ,spectrum is quite close to the model of conduction via nonohmic contactiug when the SnO2 content is relatively low, In high loading region, the spectrum shows the conduction pattern through ohmic contact chains . In the moderate loading region, the model is a mixture of the above two models. Equivalent circuit of the composite changes from resistor-capacitor circuit to resistor-inductor circuit as the content of SnO2 increases.展开更多
Vanadium pentoxide xerogel films used for lithium rechargeable batteries were prepared from crystalline c-V2O5 by melt quenching method,then the electrochemical process of lithium intercalation into vanadium pentoxide...Vanadium pentoxide xerogel films used for lithium rechargeable batteries were prepared from crystalline c-V2O5 by melt quenching method,then the electrochemical process of lithium intercalation into vanadium pentoxide xerogel films was simulated with an equivalent circuit model, which was derived from the mechanism of electrode reactions. Measured electrochemical impedance spectra at various electrode potentials were analyzed by using the complex non-linear least-squares fitting method. The results show that impedance spectra consist of 2 high-to- medium frequency depressed arcs and a low frequency straight line. The high frequency arc is attributed to the absorption reaction of lithium ions into the oxide film, the medium frequency arc is attributed to the charge transfer reaction at the vanadium oxide/electrolyte interface and the low frequency is characterized by a straight line with a phase angle of 45° corresponding to the diffusion of lithium ion through vanadium oxide phase. The experimental and calculated results are compared and discussed focusing on the electrochemical performance and the state of charge of the electrode. Moreover, the high consistence of the fitted values of the model to the experimental data indicates that this mathematical model does give a satisfying description of the intercalation process of vanadium pentoxide xerogel films.展开更多
In order to investigate the anticorrosion performance of the organic coating/metal system, electrochemical impedance spectra (EIS) were measured in the 3.5wt% NaCl solution, the chemical component and the formation ...In order to investigate the anticorrosion performance of the organic coating/metal system, electrochemical impedance spectra (EIS) were measured in the 3.5wt% NaCl solution, the chemical component and the formation of corrosion products scale were analyzed by laser Raman microspectroscopy, and the pattern of the organic coating/metal system was observed by scanning electron microscopy (SEM). The characteristics and the delamination process of the organic coating/metal system were investigated systematically, and the emphases were on the transportation of the corrosive medium and the changes of the coating/metal interface. The results show that the impedance decreases at the initial immersion, then increases at the middle-immersion, and again decreases at last, which is related to the corrosion products scale. The concentration of Cl in the coating, which destroys the corrosion products scale, increases with the immersion time.展开更多
The emission spectra of microwave plasma was in line measured in visible light wave band using a self made optical fiber spectrometer, the change rule of the atomic hydrogen ( H ) and double carbon radical( C 2) was g...The emission spectra of microwave plasma was in line measured in visible light wave band using a self made optical fiber spectrometer, the change rule of the atomic hydrogen ( H ) and double carbon radical( C 2) was given under different CH 4/H 2 ratios of volume flow. The effect of atomic hydrogen ( H ) on CVD diamond, deposited high quality and transparent diamond film by microwave plasma CVD (MPCVD) was analyzed according to the measured results by scanning electron microscopy(SEM), laser Raman spectrometry(Raman), and Fourier transform infrared spectrometry(FTIR). The results showed that the diamond film consisted of (220) orientation and it was homogeneous, compact, low defective, high quality film, its infrared transmissibility was about 70%, approached theoretical transmissibility of diamond. It was key conditions that a large number of atomic hydrogen ( H γ ) and double carbon radical( C 2) exist in the course of high quality diamond film growth. The research provided a rapid method for technology exploration of microwawe plasma CVD, and a reliable basis for research on growth mechanism of diamond film.展开更多
The structures and electronic spectra of the derivatives of C60-P-2,4,6-triphenyl borazinc have been studied by using AM 1 method. The calculated results indicate that this kind of compounds has a lower energy differe...The structures and electronic spectra of the derivatives of C60-P-2,4,6-triphenyl borazinc have been studied by using AM 1 method. The calculated results indicate that this kind of compounds has a lower energy difference between HOMO and LUMO. It is found that the electron cloud on unoccupied frontier orbital mainly comes from the contribution of C60, while that on occupied frontier orbital mainly concentrates on the side chain. A long-lived charge-separated state may occur in the objective compounds.展开更多
A 1064 nm Nd:YAG laser was used to of the spectral lines measured from the laserablated ablate fly ash samples. The characteristics fly ash plasmas are presented with special attention to atomic and molecular carbon ...A 1064 nm Nd:YAG laser was used to of the spectral lines measured from the laserablated ablate fly ash samples. The characteristics fly ash plasmas are presented with special attention to atomic and molecular carbon emission. It is shown that the intensity of the atomic line C I 192.9 nm is weak and the shot-to-shot intensity is fluctuant. The carbon atomic line C I 247.7 nm is relatively intensive and stable, however it is seriously interfered with by Fe I 247.8 nm. The intensity of the CN molecular line is close to that of C I 247.7 nm and the CN line is stable and less interfered with. The comparison of molecular CN emission under different conditions (air, Ar and N2) shows that the CN lines detected from the plasmas formed in an atmospheric environment are correlated with the reaction of carbon atoms in the plasma with the nitrogen in air, which indicates that the CN line is also important in pulsed laser ablation fly ash plasmas and this information can be incorporated in the detection of unburned carbon content in fly ash. Finally, a calibration curve is established with a correlation coefficient R2 of 0.999, using C I 247.7 nm and the CN molecular line as associated variables. In addition, accuracy is improved to a certain extent.展开更多
Structures and stabilities of 22 possible isomers for C78O2 based on C78(C2v) were studied by INDO series of methods. The most stable geometry is that two oxygen atoms are added to 1,2-bond crossed by the shortest z...Structures and stabilities of 22 possible isomers for C78O2 based on C78(C2v) were studied by INDO series of methods. The most stable geometry is that two oxygen atoms are added to 1,2-bond crossed by the shortest z axis and 32,35-bond near the longest x axis in C78(C2v),in agreement with the experiment of adducts for C78(C2v). 1,2,32,35-C78O2 is more stable than 1,2,19,22-C78O2 by 0.12 kcal/mol and epoxide structures are formed in each isomer. Electronic spectra for C78O2 were investigated with INDO/CIS method. The reason of the blue-shift for UV absorptions of 1,2,32,35-C78O2 compared with that of C78(C2v) was discussed and electronic transition was theoretically assigned.展开更多
A sinusoidal voltage wave generator is proposed based on the use of micro-processor digital signals with programmable duty-cycles, with application to real-time Electrical Cell-substrate Impedance Spectroscopy (ECIS) ...A sinusoidal voltage wave generator is proposed based on the use of micro-processor digital signals with programmable duty-cycles, with application to real-time Electrical Cell-substrate Impedance Spectroscopy (ECIS) assays in cell cultures. The working principle relies on the time convolution of the programmed microcontroller (μC) digital signals. The expected frequency is easily tuned on the bio-impedance spectroscopy range [100 Hz, 1 MHz] thanks to the μC clock frequency selection. This system has been simulated and tested on the 8 bits μC Arduino<sup>TM </sup>Uno with ATmega328 version. Results obtained prove that only three digital signals are required to fit the general specification in ECIS experiments, below 1% THD accuracy, and show the appropriateness of the system for the real-time monitoring of this type of biological experiments.展开更多
The structures and spectra of 20 possible isomers of C78(CH2)3 have been studied by using AMI, INDO/CIS and DFT methods. The results show that the most stable isomer is 1,2,3,4,5,6-C78(CH2)3 (A) with annulene st...The structures and spectra of 20 possible isomers of C78(CH2)3 have been studied by using AMI, INDO/CIS and DFT methods. The results show that the most stable isomer is 1,2,3,4,5,6-C78(CH2)3 (A) with annulene structures, where three -CH2 groups are added to the 6/6 bonds located at the same hexagon passed by the shortest axis of C78 (C2v). Compared with that of C78 (C2v), the first absorption in the electronic spectrum of C78(CH2)3 (A) iS blue-shifted because of its wider LUMO-HOMO energy gap. While the IR frequencies of the C-C bonds on the carbon cage are red-shifted owing to the formation of annulene structures and the extension of the conjugated system. The chemical shifts of the carbon atoms in 13C NMR spectra are moved upfield upon the addition.展开更多
The semi-empirical INDO method was used to study the electronic structures and the spectra of all of the 34 possible isomers of C78O based on C78 with group C2v. This calculation can simulate positions of an additiona...The semi-empirical INDO method was used to study the electronic structures and the spectra of all of the 34 possible isomers of C78O based on C78 with group C2v. This calculation can simulate positions of an additional oxygen atom in C78 and predict the spectroscopic characteristics of the isomers. The most stable geometry of C78O is the 73,78-C78O molecule with an epoxide structure. The added 73,78-bond is located between two hexagons (6-6) and is intersected by the shortest C2 axis in C78 with group C2v. Atomic orbitals of the oxygen atom play an important role in lowering HOMO energy of 73,78-C78O. Compared with C78 with group C2v, the blue-shift in the electronic absorption spectrum for 73,78-C78O was observed. The reason of the blue-shift effect was discussed, and the electronic transitions were assigned based on the theoretical calculations.展开更多
Study of geometries of 16 possible isomers for C76N2 based on C78(C2v) by intermediate neglect of differential overlap (INDO) series of methods indicated that the most stable geometry 25,78-C76N2 where two nitrogen at...Study of geometries of 16 possible isomers for C76N2 based on C78(C2v) by intermediate neglect of differential overlap (INDO) series of methods indicated that the most stable geometry 25,78-C76N2 where two nitrogen atoms substitute two apexes C(25) and C(78) near the shortest X axis and Y axis formed by two hexagons and a pentagon. Electronic structures and spectra of C76N2 were investigated. The reason for the red-shift for absorptions of C76N2 compared with that of C78(C2v) is discussed.展开更多
The absorption spectra of torus-type C_(120) and its derivatives doped by nitrogen(C_(119)N, C_(118)N_2, C_(115)N_5) have been investigated based on the density functional theory. The longest absorption band of torus-...The absorption spectra of torus-type C_(120) and its derivatives doped by nitrogen(C_(119)N, C_(118)N_2, C_(115)N_5) have been investigated based on the density functional theory. The longest absorption band of torus-type C_(120) can arrive at the near IR fields. For three derivatives doped by nitrogen, doped nitrogen atoms can induce the longer absorption band, and the more numbers of nitrogen atoms are doped in torus-type C_(120), the longer absorption band can be induced.展开更多
The structures and stabilities of all the 21 possible isomers for C77B^- based on C78 (C2v) were studied by the INDO series of methods. The most two stable geometries are C77B^-(10) and C77B^-(7), where B(10) ...The structures and stabilities of all the 21 possible isomers for C77B^- based on C78 (C2v) were studied by the INDO series of methods. The most two stable geometries are C77B^-(10) and C77B^-(7), where B(10) and B(7) are located at the apexes among two hexagons and a pentagon near the shortest axis of C78 (C2v), and the former is more stable than the latter by 0.1902 eV. Based on the optimized geometries, the electronic spectra of the C77B^- isomers were investigated with the INDO/CIS method and the electronic transitions were assigned. The reason for the red-shift of the first absorption peaks for C77B^- compared with that of C78 (C2v) was discussed.展开更多
Interfacial proton transfer reactions of pure mercaptoacetic acid (MA) and 2-mercaptobenzothiazole (Mbz) mixed self-assembled monolayers (SAMs) have been studied using a.c. impedance titration method. The charge-trans...Interfacial proton transfer reactions of pure mercaptoacetic acid (MA) and 2-mercaptobenzothiazole (Mbz) mixed self-assembled monolayers (SAMs) have been studied using a.c. impedance titration method. The charge-transfer resistance (Rct,) is measured with the monolayer composition and the ionic strength of pH solution. The surface pKa can be obtained by the plots of Rct and pH, the reasons of shifts of surface pKa are also explained.展开更多
Self-assembly of octadecyl mercaptan on gold was investigated by cyclic voltammetry(CV) and electrochemical impedance spectroscopy (EIS). Results of CV experiments show thatthere are no structUral defects exposed dire...Self-assembly of octadecyl mercaptan on gold was investigated by cyclic voltammetry(CV) and electrochemical impedance spectroscopy (EIS). Results of CV experiments show thatthere are no structUral defects exposed directly to the redox couple in solution, but EISexperiments indicate that collapsed sites exist in the monolayer. A method to estimate the degree ofdisorder in the Au/thiol monolayer surface is proposed by using admittance plane plot.展开更多
The fluorescent principle used for measuring alga characteristic parameters and the optimum structure design of the instrument are discussed. The fluorescent spectrum of Chla/c and the time-resolved different spectrum...The fluorescent principle used for measuring alga characteristic parameters and the optimum structure design of the instrument are discussed. The fluorescent spectrum of Chla/c and the time-resolved different spectrum ΔA(λ,t) are given. The research provides an effective method for considering the density and the classification of algae, which will be helpful to monitor sea pollution.展开更多
The vibrational Raman spectra have been obtained for purified solid films C_(60). Three bands were observed out of the total of 10 that were theoretically predicted. Some phenomena which may be due to photon-induced o...The vibrational Raman spectra have been obtained for purified solid films C_(60). Three bands were observed out of the total of 10 that were theoretically predicted. Some phenomena which may be due to photon-induced oxidation in the vibrational Raman measuring were observed.展开更多
The sequence structures of emulsion-processed SBR and solution-processed (by lithium catalyst) SBR were investigated by ^(13)C-NMR spectroscopy. Seventeen peaks within unsaturated carbon region were recorded under the...The sequence structures of emulsion-processed SBR and solution-processed (by lithium catalyst) SBR were investigated by ^(13)C-NMR spectroscopy. Seventeen peaks within unsaturated carbon region were recorded under the adopted experimental conditions. Assignments for these peaks were made by empirical-parameter-evaluation method.展开更多
The electrochemical behaviors of Ta in tetrabutylammonium hydrogen sulfate(TBAHS) ethanol solutions were studied using potentiodynamic polarization,cyclic voltammetry,potentiostatic current time transient and impeda...The electrochemical behaviors of Ta in tetrabutylammonium hydrogen sulfate(TBAHS) ethanol solutions were studied using potentiodynamic polarization,cyclic voltammetry,potentiostatic current time transient and impedance techniques.The results revealed that no active-passive transition is presented in the cyclic voltammogram,and the anodic current density increases with the increase of solution temperature,TBAHS concentration,potential scan rate and water content.The apparent activation energy is about 43.389 kJ/mol and the dissolution process is diffusion-controlled.Potentiostatic measurements showed that the current density gradually decays to a steady value when the potential is low;however,when the potential is higher than a certain value,the current density initially declines to a minimum value and then increases gradually.The resistance of passive film decreases with increasing potential,and inductive loops are presented when the potential is higher than 2.0 V.展开更多
基金Funded by Guangdong Provincal Natural Science Foundation(No.05006564) and Science &Technology Programof GuangdongProvince(No.2004B10301007)
文摘SnO2-glaze composites were prepared by Sb-doped SnO2 and SiO2-CaO-Al2O3-B2O3 glaze. The composites changed from an electrical insulator to a conductor as the SnO2 content increased from Owt% to 90 wt% . The complex impedance spectra of the fabricated composites were investigated in the frequency range of 100Hz-40 MHz and three kinds of typical shape of complex impedance spectra were recorded and analyzed. The ,spectrum is quite close to the model of conduction via nonohmic contactiug when the SnO2 content is relatively low, In high loading region, the spectrum shows the conduction pattern through ohmic contact chains . In the moderate loading region, the model is a mixture of the above two models. Equivalent circuit of the composite changes from resistor-capacitor circuit to resistor-inductor circuit as the content of SnO2 increases.
文摘Vanadium pentoxide xerogel films used for lithium rechargeable batteries were prepared from crystalline c-V2O5 by melt quenching method,then the electrochemical process of lithium intercalation into vanadium pentoxide xerogel films was simulated with an equivalent circuit model, which was derived from the mechanism of electrode reactions. Measured electrochemical impedance spectra at various electrode potentials were analyzed by using the complex non-linear least-squares fitting method. The results show that impedance spectra consist of 2 high-to- medium frequency depressed arcs and a low frequency straight line. The high frequency arc is attributed to the absorption reaction of lithium ions into the oxide film, the medium frequency arc is attributed to the charge transfer reaction at the vanadium oxide/electrolyte interface and the low frequency is characterized by a straight line with a phase angle of 45° corresponding to the diffusion of lithium ion through vanadium oxide phase. The experimental and calculated results are compared and discussed focusing on the electrochemical performance and the state of charge of the electrode. Moreover, the high consistence of the fitted values of the model to the experimental data indicates that this mathematical model does give a satisfying description of the intercalation process of vanadium pentoxide xerogel films.
文摘In order to investigate the anticorrosion performance of the organic coating/metal system, electrochemical impedance spectra (EIS) were measured in the 3.5wt% NaCl solution, the chemical component and the formation of corrosion products scale were analyzed by laser Raman microspectroscopy, and the pattern of the organic coating/metal system was observed by scanning electron microscopy (SEM). The characteristics and the delamination process of the organic coating/metal system were investigated systematically, and the emphases were on the transportation of the corrosive medium and the changes of the coating/metal interface. The results show that the impedance decreases at the initial immersion, then increases at the middle-immersion, and again decreases at last, which is related to the corrosion products scale. The concentration of Cl in the coating, which destroys the corrosion products scale, increases with the immersion time.
文摘The emission spectra of microwave plasma was in line measured in visible light wave band using a self made optical fiber spectrometer, the change rule of the atomic hydrogen ( H ) and double carbon radical( C 2) was given under different CH 4/H 2 ratios of volume flow. The effect of atomic hydrogen ( H ) on CVD diamond, deposited high quality and transparent diamond film by microwave plasma CVD (MPCVD) was analyzed according to the measured results by scanning electron microscopy(SEM), laser Raman spectrometry(Raman), and Fourier transform infrared spectrometry(FTIR). The results showed that the diamond film consisted of (220) orientation and it was homogeneous, compact, low defective, high quality film, its infrared transmissibility was about 70%, approached theoretical transmissibility of diamond. It was key conditions that a large number of atomic hydrogen ( H γ ) and double carbon radical( C 2) exist in the course of high quality diamond film growth. The research provided a rapid method for technology exploration of microwawe plasma CVD, and a reliable basis for research on growth mechanism of diamond film.
文摘The structures and electronic spectra of the derivatives of C60-P-2,4,6-triphenyl borazinc have been studied by using AM 1 method. The calculated results indicate that this kind of compounds has a lower energy difference between HOMO and LUMO. It is found that the electron cloud on unoccupied frontier orbital mainly comes from the contribution of C60, while that on occupied frontier orbital mainly concentrates on the side chain. A long-lived charge-separated state may occur in the objective compounds.
基金supported by National Natural Science Foundation of China(Nos.51071069 and 51476061)Guangdong Province Key Laboratory of Efficient and Clean Energy Utilization,China(No.2013A061401005)Key Laboratory of Efficient and Clean Energy Utilization of Guangdong Higher Education Institutes of China(No.KLB10004)
文摘A 1064 nm Nd:YAG laser was used to of the spectral lines measured from the laserablated ablate fly ash samples. The characteristics fly ash plasmas are presented with special attention to atomic and molecular carbon emission. It is shown that the intensity of the atomic line C I 192.9 nm is weak and the shot-to-shot intensity is fluctuant. The carbon atomic line C I 247.7 nm is relatively intensive and stable, however it is seriously interfered with by Fe I 247.8 nm. The intensity of the CN molecular line is close to that of C I 247.7 nm and the CN line is stable and less interfered with. The comparison of molecular CN emission under different conditions (air, Ar and N2) shows that the CN lines detected from the plasmas formed in an atmospheric environment are correlated with the reaction of carbon atoms in the plasma with the nitrogen in air, which indicates that the CN line is also important in pulsed laser ablation fly ash plasmas and this information can be incorporated in the detection of unburned carbon content in fly ash. Finally, a calibration curve is established with a correlation coefficient R2 of 0.999, using C I 247.7 nm and the CN molecular line as associated variables. In addition, accuracy is improved to a certain extent.
文摘Structures and stabilities of 22 possible isomers for C78O2 based on C78(C2v) were studied by INDO series of methods. The most stable geometry is that two oxygen atoms are added to 1,2-bond crossed by the shortest z axis and 32,35-bond near the longest x axis in C78(C2v),in agreement with the experiment of adducts for C78(C2v). 1,2,32,35-C78O2 is more stable than 1,2,19,22-C78O2 by 0.12 kcal/mol and epoxide structures are formed in each isomer. Electronic spectra for C78O2 were investigated with INDO/CIS method. The reason of the blue-shift for UV absorptions of 1,2,32,35-C78O2 compared with that of C78(C2v) was discussed and electronic transition was theoretically assigned.
文摘A sinusoidal voltage wave generator is proposed based on the use of micro-processor digital signals with programmable duty-cycles, with application to real-time Electrical Cell-substrate Impedance Spectroscopy (ECIS) assays in cell cultures. The working principle relies on the time convolution of the programmed microcontroller (μC) digital signals. The expected frequency is easily tuned on the bio-impedance spectroscopy range [100 Hz, 1 MHz] thanks to the μC clock frequency selection. This system has been simulated and tested on the 8 bits μC Arduino<sup>TM </sup>Uno with ATmega328 version. Results obtained prove that only three digital signals are required to fit the general specification in ECIS experiments, below 1% THD accuracy, and show the appropriateness of the system for the real-time monitoring of this type of biological experiments.
文摘The structures and spectra of 20 possible isomers of C78(CH2)3 have been studied by using AMI, INDO/CIS and DFT methods. The results show that the most stable isomer is 1,2,3,4,5,6-C78(CH2)3 (A) with annulene structures, where three -CH2 groups are added to the 6/6 bonds located at the same hexagon passed by the shortest axis of C78 (C2v). Compared with that of C78 (C2v), the first absorption in the electronic spectrum of C78(CH2)3 (A) iS blue-shifted because of its wider LUMO-HOMO energy gap. While the IR frequencies of the C-C bonds on the carbon cage are red-shifted owing to the formation of annulene structures and the extension of the conjugated system. The chemical shifts of the carbon atoms in 13C NMR spectra are moved upfield upon the addition.
文摘The semi-empirical INDO method was used to study the electronic structures and the spectra of all of the 34 possible isomers of C78O based on C78 with group C2v. This calculation can simulate positions of an additional oxygen atom in C78 and predict the spectroscopic characteristics of the isomers. The most stable geometry of C78O is the 73,78-C78O molecule with an epoxide structure. The added 73,78-bond is located between two hexagons (6-6) and is intersected by the shortest C2 axis in C78 with group C2v. Atomic orbitals of the oxygen atom play an important role in lowering HOMO energy of 73,78-C78O. Compared with C78 with group C2v, the blue-shift in the electronic absorption spectrum for 73,78-C78O was observed. The reason of the blue-shift effect was discussed, and the electronic transitions were assigned based on the theoretical calculations.
文摘Study of geometries of 16 possible isomers for C76N2 based on C78(C2v) by intermediate neglect of differential overlap (INDO) series of methods indicated that the most stable geometry 25,78-C76N2 where two nitrogen atoms substitute two apexes C(25) and C(78) near the shortest X axis and Y axis formed by two hexagons and a pentagon. Electronic structures and spectra of C76N2 were investigated. The reason for the red-shift for absorptions of C76N2 compared with that of C78(C2v) is discussed.
基金supported by the Science Foundation of Shaan’xi Province(No.2018JM2033)Shaan’xi Provincial Education Department Project(No.18JK0836)+1 种基金Undergraduate Training Programs for Innovation(No.201828004)the Teaching Reform Project(No.2017Y007)
文摘The absorption spectra of torus-type C_(120) and its derivatives doped by nitrogen(C_(119)N, C_(118)N_2, C_(115)N_5) have been investigated based on the density functional theory. The longest absorption band of torus-type C_(120) can arrive at the near IR fields. For three derivatives doped by nitrogen, doped nitrogen atoms can induce the longer absorption band, and the more numbers of nitrogen atoms are doped in torus-type C_(120), the longer absorption band can be induced.
文摘The structures and stabilities of all the 21 possible isomers for C77B^- based on C78 (C2v) were studied by the INDO series of methods. The most two stable geometries are C77B^-(10) and C77B^-(7), where B(10) and B(7) are located at the apexes among two hexagons and a pentagon near the shortest axis of C78 (C2v), and the former is more stable than the latter by 0.1902 eV. Based on the optimized geometries, the electronic spectra of the C77B^- isomers were investigated with the INDO/CIS method and the electronic transitions were assigned. The reason for the red-shift of the first absorption peaks for C77B^- compared with that of C78 (C2v) was discussed.
文摘Interfacial proton transfer reactions of pure mercaptoacetic acid (MA) and 2-mercaptobenzothiazole (Mbz) mixed self-assembled monolayers (SAMs) have been studied using a.c. impedance titration method. The charge-transfer resistance (Rct,) is measured with the monolayer composition and the ionic strength of pH solution. The surface pKa can be obtained by the plots of Rct and pH, the reasons of shifts of surface pKa are also explained.
文摘Self-assembly of octadecyl mercaptan on gold was investigated by cyclic voltammetry(CV) and electrochemical impedance spectroscopy (EIS). Results of CV experiments show thatthere are no structUral defects exposed directly to the redox couple in solution, but EISexperiments indicate that collapsed sites exist in the monolayer. A method to estimate the degree ofdisorder in the Au/thiol monolayer surface is proposed by using admittance plane plot.
文摘The fluorescent principle used for measuring alga characteristic parameters and the optimum structure design of the instrument are discussed. The fluorescent spectrum of Chla/c and the time-resolved different spectrum ΔA(λ,t) are given. The research provides an effective method for considering the density and the classification of algae, which will be helpful to monitor sea pollution.
文摘The vibrational Raman spectra have been obtained for purified solid films C_(60). Three bands were observed out of the total of 10 that were theoretically predicted. Some phenomena which may be due to photon-induced oxidation in the vibrational Raman measuring were observed.
文摘The sequence structures of emulsion-processed SBR and solution-processed (by lithium catalyst) SBR were investigated by ^(13)C-NMR spectroscopy. Seventeen peaks within unsaturated carbon region were recorded under the adopted experimental conditions. Assignments for these peaks were made by empirical-parameter-evaluation method.
基金Project(2007AA03Z425)supported by the Hi-tech Research and Development Program of ChinaProject(50404011)supported by the National Natural Science Foundation of China
文摘The electrochemical behaviors of Ta in tetrabutylammonium hydrogen sulfate(TBAHS) ethanol solutions were studied using potentiodynamic polarization,cyclic voltammetry,potentiostatic current time transient and impedance techniques.The results revealed that no active-passive transition is presented in the cyclic voltammogram,and the anodic current density increases with the increase of solution temperature,TBAHS concentration,potential scan rate and water content.The apparent activation energy is about 43.389 kJ/mol and the dissolution process is diffusion-controlled.Potentiostatic measurements showed that the current density gradually decays to a steady value when the potential is low;however,when the potential is higher than a certain value,the current density initially declines to a minimum value and then increases gradually.The resistance of passive film decreases with increasing potential,and inductive loops are presented when the potential is higher than 2.0 V.