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The degradation of cathodic Fe/N/C catalyst in PEMFCs:The evolution of remanent active sites after demetallation

Journal of Materials Science & Technology 2024年第6期173卷 100-106页

作者： Xiaohua Yang Wentao Sun Jiatang Chen Yang Gao Rongxian Zhang Qun Luo Tao Lyu Lei Du Institut National de la Recherche Scientifique-Énergie Matériaux et Télécommunications J3X 1P7 VarennesQCCanada School of Chemistry and Chemical Engineering Jiangsu UniversityZhenjiang 212013China State Key Laboratory of Advanced Special Steels&Shanghai Key Laboratory of Advanced Ferrometallurgy School of Materials Science and EngineeringShanghai UniversityShanghai 200444China Huangpu Hydrogen Energy Innovation Center School of Chemistry and Chemical EngineeringGuangzhou UniversityGuangzhou 510006China

The state-of-the-art Fe/N/C catalyst has presented comparable initial cathode performance to the benchmark Pt/C catalyst in proton exchange membrane fuel cells(PEMFCs).However,the major bottleneck is its significant activity decay in real-world PEMFC *** superposed“fast decay”and“slow decay”have been well documented to describe the degradation process of Fe/N/C catalysts during PEMFC *** fast decay has been well understood in close relation to the demetallation at the initial 15-h stability ***,it is still unclear how the remanent active sites evolve after *** this end,the catalyst performance and evolution of a typical Fe/N/C active site were herein investigated through postmortem characterizations of the membrane electrode assemblies(MEAs)after different *** is presented that 1 bar pressure and 80℃ temperature are the optimized conditions for Fe/N/C ***,the“fast decay”in the initial 15 h is immune to the various operating parameters,while the“slow decay”highly depends on the applied temperature and *** to the X-ray absorption spectra(XAS)analysis and stability test of MEA,the gradual evolution of Fe-N coordination to Fe-O is found correlated with the“slow decay”and accounts for the catalyst decay after the demetallation process.

关键词： Fe/N/C Stability Decay mechanism metal oxidation PEMFCs

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Early Stage of oxidation on Titanium Surface by Reactive Molecular Dynamics Simulation

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Computers, Materials & Continua 2018年第4期55卷 177-188页

作者： Liang Yang Caizhuang Wang Shiwei Lin Yang Cao Xiaoheng Liu School of chemical Engineering Nanjing University of science&TechnologyNanjing 210094China Materials and Chemical Engineering Hainan UniversityHaikou570228China Ames laboratory and Department of Physics Iowa State UniversityAmesIA 50011USA

Understanding of metal oxidation is very critical to corrosion control,catalysis synthesis,and advanced materials *** oxidation is a very complex phenomenon,with many different processes which are coupled and involved from the onset of *** this work,the initial stage of oxidation on titanium surface was investigated in atomic scale by molecular dynamics(MD)simulations using a reactive force field(ReaxFF).We show that oxygen transport is the dominant process during the initial *** simulation also demonstrate that a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Titanium(0001)surface and further prevented oxidation in the deeper *** mechanism of initial oxidation observed in this work can be also applicable to other self-limiting oxidation.

关键词： Reactive force field metal oxidation self-limiting oxidation Titanium(0001)surface molecular dynamics simulation compressive stress

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