The activated chemisorption of N<sub>2</sub> on Ni (poly) and La film was performed on a molecular beam—surface scattering apparatus. Experimental results indicate that the initial sticking probability ...The activated chemisorption of N<sub>2</sub> on Ni (poly) and La film was performed on a molecular beam—surface scattering apparatus. Experimental results indicate that the initial sticking probability s<sub>o</sub> increases linearly from 0 to 0.03 as normal component of translational energy of the molecuar beam E<sub>n</sub> increases from 11.00 to 19.91 kcal/mol for N<sub>2</sub>/Ni system and S<sub>0</sub> from 0 to 0. 10 as E<sub>n</sub> from 10. 40 to 19.91 kcal/mol for N<sub>2</sub>/La system. The apparent activation energy △E are 6.16 kcal/mol and 5.30 kcal/mol for N<sub>2</sub>/Ni and N<sub>2</sub>/La systems respectively.展开更多
Periodic density functional theory calculations have been performed to investigate the chemisorption behavior of COz molecule on a series of surface alloys that are built by dispersing individual middle-late transitio...Periodic density functional theory calculations have been performed to investigate the chemisorption behavior of COz molecule on a series of surface alloys that are built by dispersing individual middle-late transition metal (TM) atoms (TM = Fe, Co, Ni, Ru, Rh, Pd, Ag, Os, lr, Pt, Au) on the Cu(100) and Cu(lll) surfaces. The most stable configurations of CO2 chemisorbed on different TM/Cu surfaces are determined, and the results show that among the late transition metals, Co, Ru, and Os are potentially good dopants to enhance the chemisorption and activation of CO2 on copper surfaces. To obtain a deep understanding of the adsorption property, the bonding characteristics of the adsorption bonds are carefully examined by the crystal orbital Hamilton population technique, which reveals that the TM atom primarily provides d orbitals with z-component, namely dz2, dxz, and dvz orbitals to interact with the adsorbate.展开更多
The feasibility of using electrodes modified with polyaniline incorporated carbon particles films for improving the precision of coulometric titration is demonstrated. The problem of large deviation produced during de...The feasibility of using electrodes modified with polyaniline incorporated carbon particles films for improving the precision of coulometric titration is demonstrated. The problem of large deviation produced during determining polyisoprene by coulometric titration with direct titration technique(double Pt electrodes indicating electrode) has been solved. In the titration process, polyisoprene alcohol, an electro-inactive species, is adsorbed on the surface of the bare Pt electrode, which inhibits the electrode reaction of Br - and Br 2. Therefore, when the titration reaches the end-point, the detected current will slowly change with time, which can make the repeatability of end-point poor. The atomic force microscopic images show the morphology of the electrode surface of adsorbing polyisoprene alcohol. The application of the chemically modified electrode instead of the bare Pt electrode to indicating the end-point has been investigated. The results show that the Pt electrode coated with polyaniline incorporated carbon particles films is an excellent indicator electrode. This electrode has advantages that the indicating signals are sharp and repeatable at end-point. The precision and the accuracy of the determination of polyisoprene alcohol are satisfactory.展开更多
The adsorption of a half monolayer of Mg atoms on the Si(100)-(2×1) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method.Energies of the adsorption systems of Mg atom...The adsorption of a half monolayer of Mg atoms on the Si(100)-(2×1) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method.Energies of the adsorption systems of Mg atoms on the different sites are calculated.It has been found that the adsorbed Mg atoms are more favorable on the cave site above the surface than any other sites on the Si(100)-(2×1) surface and a metastable shallow site also exists above the surface.This is in agreement with the experimental results.The charge transfer and the layer projected density of states are also studied.展开更多
基金Project supportec by the National Natural Science Foundation of China
文摘The activated chemisorption of N<sub>2</sub> on Ni (poly) and La film was performed on a molecular beam—surface scattering apparatus. Experimental results indicate that the initial sticking probability s<sub>o</sub> increases linearly from 0 to 0.03 as normal component of translational energy of the molecuar beam E<sub>n</sub> increases from 11.00 to 19.91 kcal/mol for N<sub>2</sub>/Ni system and S<sub>0</sub> from 0 to 0. 10 as E<sub>n</sub> from 10. 40 to 19.91 kcal/mol for N<sub>2</sub>/La system. The apparent activation energy △E are 6.16 kcal/mol and 5.30 kcal/mol for N<sub>2</sub>/Ni and N<sub>2</sub>/La systems respectively.
基金supported by the National Natural Science Foundation of China(21373048,21203027,and 21371034)
文摘Periodic density functional theory calculations have been performed to investigate the chemisorption behavior of COz molecule on a series of surface alloys that are built by dispersing individual middle-late transition metal (TM) atoms (TM = Fe, Co, Ni, Ru, Rh, Pd, Ag, Os, lr, Pt, Au) on the Cu(100) and Cu(lll) surfaces. The most stable configurations of CO2 chemisorbed on different TM/Cu surfaces are determined, and the results show that among the late transition metals, Co, Ru, and Os are potentially good dopants to enhance the chemisorption and activation of CO2 on copper surfaces. To obtain a deep understanding of the adsorption property, the bonding characteristics of the adsorption bonds are carefully examined by the crystal orbital Hamilton population technique, which reveals that the TM atom primarily provides d orbitals with z-component, namely dz2, dxz, and dvz orbitals to interact with the adsorbate.
基金Supported by the Science and Technology Comm ission of Henan Province and Education Com mission of HenanProvince
文摘The feasibility of using electrodes modified with polyaniline incorporated carbon particles films for improving the precision of coulometric titration is demonstrated. The problem of large deviation produced during determining polyisoprene by coulometric titration with direct titration technique(double Pt electrodes indicating electrode) has been solved. In the titration process, polyisoprene alcohol, an electro-inactive species, is adsorbed on the surface of the bare Pt electrode, which inhibits the electrode reaction of Br - and Br 2. Therefore, when the titration reaches the end-point, the detected current will slowly change with time, which can make the repeatability of end-point poor. The atomic force microscopic images show the morphology of the electrode surface of adsorbing polyisoprene alcohol. The application of the chemically modified electrode instead of the bare Pt electrode to indicating the end-point has been investigated. The results show that the Pt electrode coated with polyaniline incorporated carbon particles films is an excellent indicator electrode. This electrode has advantages that the indicating signals are sharp and repeatable at end-point. The precision and the accuracy of the determination of polyisoprene alcohol are satisfactory.
文摘The adsorption of a half monolayer of Mg atoms on the Si(100)-(2×1) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method.Energies of the adsorption systems of Mg atoms on the different sites are calculated.It has been found that the adsorbed Mg atoms are more favorable on the cave site above the surface than any other sites on the Si(100)-(2×1) surface and a metastable shallow site also exists above the surface.This is in agreement with the experimental results.The charge transfer and the layer projected density of states are also studied.