A new single micro-particle electrode(SMPE)fabrication technique the inlaid SMPE technique was introduced in this paper.The preparation procedure of an alloy SMPE was described in detail.Based on the SMPE technique,th...A new single micro-particle electrode(SMPE)fabrication technique the inlaid SMPE technique was introduced in this paper.The preparation procedure of an alloy SMPE was described in detail.Based on the SMPE technique,the electrochemical behavior of LaNi_ 4.7Al_ 0.3 spherical particles with two different radii was investigated.The results of CV study showed that more detailed electrochemical information of the alloy can be provided on the alloy SMPE as compared with that on the composite alloy electrode.The results of potential step study depict that H diffusion coefficient in LaNi_ 4.7Al_ 0.3 keeps almost constant when the size of the alloy particle changes,and the diffusion coefficient measured on the alloy SMPE[(2.5—2.6)×10-9 cm 2/s] is about one order larger than that detected on the composite alloy electrode.展开更多
The theoretical calculation of LaNi4Co, in which Co substituted for Ni at various sites, was performed by adopting the method of total energy based on the Density Functional Theory. The augmented plane wave function w...The theoretical calculation of LaNi4Co, in which Co substituted for Ni at various sites, was performed by adopting the method of total energy based on the Density Functional Theory. The augmented plane wave function was selected as a basis set in combination with Ultra-soft Pseudopotential technology. The geometry of LaNi5 was optimized and the parameters and properties of the structure were given. The theoretical results accord well with experiments. This method provides a theoretical approach for the structure prediction of such alloy. The calculations of total energy, electronic density of states and Mulliken population of LaNi4Co were carried out. The electronic structure of LaNi4Co and the change of the electronic structure due to the Co-substitution in LaNi5 alloy were analyzed from the calculated results. The stability of the alloy in which Ni was partially substituted by Co at various sites was compared and the factors controlling stability were discussed. The theoretical value of formation heat was calculated.展开更多
文摘A new single micro-particle electrode(SMPE)fabrication technique the inlaid SMPE technique was introduced in this paper.The preparation procedure of an alloy SMPE was described in detail.Based on the SMPE technique,the electrochemical behavior of LaNi_ 4.7Al_ 0.3 spherical particles with two different radii was investigated.The results of CV study showed that more detailed electrochemical information of the alloy can be provided on the alloy SMPE as compared with that on the composite alloy electrode.The results of potential step study depict that H diffusion coefficient in LaNi_ 4.7Al_ 0.3 keeps almost constant when the size of the alloy particle changes,and the diffusion coefficient measured on the alloy SMPE[(2.5—2.6)×10-9 cm 2/s] is about one order larger than that detected on the composite alloy electrode.
文摘The theoretical calculation of LaNi4Co, in which Co substituted for Ni at various sites, was performed by adopting the method of total energy based on the Density Functional Theory. The augmented plane wave function was selected as a basis set in combination with Ultra-soft Pseudopotential technology. The geometry of LaNi5 was optimized and the parameters and properties of the structure were given. The theoretical results accord well with experiments. This method provides a theoretical approach for the structure prediction of such alloy. The calculations of total energy, electronic density of states and Mulliken population of LaNi4Co were carried out. The electronic structure of LaNi4Co and the change of the electronic structure due to the Co-substitution in LaNi5 alloy were analyzed from the calculated results. The stability of the alloy in which Ni was partially substituted by Co at various sites was compared and the factors controlling stability were discussed. The theoretical value of formation heat was calculated.
