The performance of proton exchange membrane fuel cells depends heavily on the oxygen reduction reaction(ORR)at the cathode,for which platinum-based catalysts are currently the standard.The high cost and limited availa...The performance of proton exchange membrane fuel cells depends heavily on the oxygen reduction reaction(ORR)at the cathode,for which platinum-based catalysts are currently the standard.The high cost and limited availability of platinum have driven the search for alternative catalysts.While FeN4 single-atom catalysts have shown promising potential,their ORR activity needs to be further enhanced.In contrast,dual-atom catalysts(DACs)offer not only higher metal loading but also the ability to break the ORR scaling relations.However,the diverse local structures and tunable coordination environments of DACs create a vast chemical space,making large-scale computational screening challenging.In this study,we developed a graph neural network(GNN)-based framework to predict the ORR activity of Fe-based DACs,effectively addressing the challenges posed by variations in local catalyst structures.Our model,trained on a dataset of 180 catalysts,accurately predicted the Gibbs free energy of ORR intermediates and overpotentials,and identified 32 DACs with superior catalytic activity compared to FeN4 SAC.This approach not only advances the design of high-performance DACs,but also offers a powerful computational tool that can significantly reduce the time and cost of catalyst development,thereby accelerating the commercialization of fuel cell technologies.展开更多
Containment control of first-order multi-agent systems with uncertain topologies and communication timedelays is studied. Suppose system topologies are dynamically changed, a containment control algorithm with time-va...Containment control of first-order multi-agent systems with uncertain topologies and communication timedelays is studied. Suppose system topologies are dynamically changed, a containment control algorithm with time-varying delays is presented. The stability of the control algorithm is studied under the assumption that communication topologies are jointly-connected, and constraint condition of distributed containment control for delayed multi-agent systems is derived with the aid of Lyapunov–Krasovskii function. Simulation results are provided to prove the correctness and effectiveness of the conclusion.展开更多
基金This work was supported by the National Natural Science Foundation of China(No.22473001)the Natural Science Funds for Distinguished Young Scholar of Anhui Province(1908085J08)the University An-nual Scientific Research Plan of Anhui Province(2022AH010013).
文摘The performance of proton exchange membrane fuel cells depends heavily on the oxygen reduction reaction(ORR)at the cathode,for which platinum-based catalysts are currently the standard.The high cost and limited availability of platinum have driven the search for alternative catalysts.While FeN4 single-atom catalysts have shown promising potential,their ORR activity needs to be further enhanced.In contrast,dual-atom catalysts(DACs)offer not only higher metal loading but also the ability to break the ORR scaling relations.However,the diverse local structures and tunable coordination environments of DACs create a vast chemical space,making large-scale computational screening challenging.In this study,we developed a graph neural network(GNN)-based framework to predict the ORR activity of Fe-based DACs,effectively addressing the challenges posed by variations in local catalyst structures.Our model,trained on a dataset of 180 catalysts,accurately predicted the Gibbs free energy of ORR intermediates and overpotentials,and identified 32 DACs with superior catalytic activity compared to FeN4 SAC.This approach not only advances the design of high-performance DACs,but also offers a powerful computational tool that can significantly reduce the time and cost of catalyst development,thereby accelerating the commercialization of fuel cell technologies.
基金Supported by the National Natural Science Foundation of China under Grant Nos.61273152,61304052,51407088the Science Foundation of Education Office of Shandong Province of China under Grant Nos.ZR2011FM07,BS2015DX018
文摘Containment control of first-order multi-agent systems with uncertain topologies and communication timedelays is studied. Suppose system topologies are dynamically changed, a containment control algorithm with time-varying delays is presented. The stability of the control algorithm is studied under the assumption that communication topologies are jointly-connected, and constraint condition of distributed containment control for delayed multi-agent systems is derived with the aid of Lyapunov–Krasovskii function. Simulation results are provided to prove the correctness and effectiveness of the conclusion.
