Theoretical Calculation And Experimental Study Of Hydrogen Electrode At Solid-Liquid Interface

At present,the energy crisis and air pollution are common global problems.The fundamental methods of achieve sustainable world development are to find and develop new energy sources and then apply them to practice.Fuel cell is the most promising project in the field of new energy research,and hydrogen is recognized as the "cleanest and pollution-free" sustainable recycling fuel in the renewable energy cycle.But currently,the most efficient and environmentally friendly method of hydrogen production is electrolyzed water.The most widely used electrode materials for its preparation are the noble metals Pt and Pd.However,the precious metals are scarce and expensive,leading to not large-scale application.The design of the catalyst requires a clear understanding of its catalytic mechanism.Preparing precious metal catalyst with low loading and high activity and stability has important application and academic value.The idea of this paper is based on the precious metals Pt,Pd and Rh,and explores the reaction mechanism of Hydrogen Evolution Reaction(HER).A synthetic route is designed to prepare Rh B NS/C catalyst.Effect of preparation conditions on catalyst structure and catalytic performance.The main summary are as follows:(1)A large-scale first-principles calculation is performed using a periodic continuous solvation model based on a modified Poisson-Boltzmann equation(CM-MPB).The relationship between the coverage and potential of H on the crystal surfaces of Pt(110),Pd(110)and Rh(110)was clarified,and the catalytic mechanism of HER has been investigated.The results show that the theoretical calcualtion for designing and predicting HER catalysts from two aspects of thermodynamics and kinetics.(2)Experiments of doping non-precious metals in precious metal catalytic materials to improve the catalytic performance and reduce their loading were studied.Rh(acac)3 was used as the rhodium source,the reaction temperature was 120 ° C,the reaction time was 72 h,and the DMAB equivalent was 72 to prepare a Rh B NS/C catalyst.At the same time,the catalyst was tested for durability and life,and it was found that the catalyst has good stability,and the current density of 10 m A/cm2 is estimated to be about 2.9 years.The results show that the Rh B NS/C catalyst is a potential electrode for hydorgen reaction.