山东理工大学学报（自然科学版）2024，Vol.38Issue(4)：61-65,5.
BN-C异质载体担载Pd的催化氧还原性能
Catalytic oxygen reduction performance of Pd supported on BN-C heterogeneous carrier
摘要
Abstract
Oxygen reduction reaction(ORR)is an important cathode reaction in proton exchange mem-brane fuel cells(PEMFCs)system.It is of great significance to study oxygen reduction catalysts with high activity and high stability.The first-principles calculation method was used to construct a theoretical calculation model for Pd metal catalyst supported by BN-C heterogeneous carrier,and investigate the en-hancement effect of the carrier on the catalytic redox performance of Pd.The results showed that the den-sity of states between BN-C heterogeneous support and Pd had more obvious orbital hybridization than that between BN and carbon support,which indicated that there was a strong interaction between them to enhance the stability of the catalyst.The adsorption and activation of O2 by Pd are enhanced under the action of BN-C,with the adsorption energy and O-O bond length being 1.064 eV and 1.357Å,respec-tively.At the same time,BN-C further promoted the charge transfer between O2 and Pd.It is demon-strated that the BN-C heterostructure can further enhance the catalytic oxygen reduction performance of Pd compared with BN and C supports.关键词
燃料电池/氮化硼/载体/氧还原反应/密度泛函理论Key words
fuel cell/boron nitride/support/oxygen reduction reaction/density functional theory分类
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董兴超,宋春葶,闫嘉莹,李巧灵,司维蒙,曹超超..BN-C异质载体担载Pd的催化氧还原性能[J].山东理工大学学报（自然科学版）,2024,38(4):61-65,5.基金项目
山东省自然科学基金项目(ZR2022QB173) （ZR2022QB173）
