Computational Studies Of Electrochemical CO₂ Reduction On Chalcogen Doped Cu₄ Cluster And Enlightenment Of The Research Process In The Teaching Of High School Physics

The development of industrialization result to the emission of carbon dioxide is increasing,the CO2 convert to hydrocarbons has become the focus of the social attention.The electrochemical CO2 reduction has received extensive attention due to the mild reaction condition,the high conversion rate,and the conversion of CO2 into fuels.The catalyst is an important role in electrochemical CO2 reduction,and the nano-sized cluster can effectively reduce the reaction barrier and increase the reaction efficiency and product selectivity compared to bulk materials and isolated atoms.In recent years,the Cu4 nano-cluster is the most active low-pressure catalyst in electrochemical CO2 reduction,the binary system catalysts which doped Cu4 cluster can improve the catalytic performance by changing the electronic structure of the cluster.Therefore,the O,S,and Se atoms are selected to dope on the Cu4 cluster to carry out the electrochemical CO2 reduction as the catalyst,and the cluster structures,adsorption free energies,reaction free energies,and electronic properties are discussed.In this study,the CALYPSO program is used to search the global minimum structures of the doped clusters(Cu4O,Cu4 S,and Cu4Se),and then the CO2 is absorbed by chemically and electrochemically.In electrochemical CO2 reduction,the product is CH4 and a small amount of CH3 OH which can be used as clean energy and confirms the sustainable development.During the electrochemical reduction of CO2 and the reaction pathway initiated by CO2 chemisorption,the former is more likely to occur under the same conditions and the reaction barrier of the Cu4 O cluster and Cu4 S cluster is reduced by 0.37 e V and 0.15 e V respectively,compared with the Cu4 cluster.In addition,the more precise calculation was carried out,and the overpotentials of CO2 electrocatalysis to CH4 is following the order: Cu4 S < Cu4 O < Cu4 Se.The O or S atom doped on Cu4 cluster has an excellent catalytic performance.This study can provide insights into the catalyst design and give a direction for experimental works.Combined with the electrochemical CO2 reduction on chalcogen doped Cu4 cluster and intern experience,the contents,characteristics,ideas,and methods of the research were found to be closely related to the high school physics teaching.The cutting-edge technologies and innovation of the research could inspire students to learn physics,broad the horizon of students,help students establish correct scientific literacy,and improve the scientific inquiry and independent innovation.The ideas and methods of the research can help students establish systematic cogitation,reasonable awareness,and effective methods,so as to improve their own capabilities.In order to integrate research into high school physics teaching,the teachers should constantly improve their own professional capabilities and knowledge,strengthen their understanding of cutting-edge technologies,and flexibly adjust teaching concepts.Combining the research with high school physics teaching can not only improve the independent inquiry ability and thinking innovation ability of the students,but also help cultivate comprehensive talents who can adapt to technological progress and social development.