石墨烯限域的FeN_4结构活化甲烷理论研究

【摘要】：Inspired by the catalytic conversion of methane with cytochrome P450 enzymes[1],we synthesized catalysts based on iron phthalocyanine(Fe Pc),where the active centers,Fe N4,are confined within graphene plane.First-principles density functional theory calculations have been applied to study the process of methane conversion catalyzed by the confined Fe N4.Under the reaction conditions of the H2O2 aqueous,the O-Fe N4-O structures are formed,as shown in Figure 1.The methane conversion proceeds along a methyl radical pathway,where the rate-determining step is the C-H bond cleavage.The generated methyl radical is quite easy to combine with hydroxyl groups to form methanol.In experiments,it has been confirmed that the catalysts based on confined Fe N4 can successfully activate methane at room temperature,and the turnover frequency is much higher than that on Fe Pc. 【作者单位】：中国科学院大连化学物理研究所,催化基础国家重点实验室
【分类号】：O614.811
【正文快照】： 石墨烯限域的FeN_4结构活化甲烷理论研究@李昊博$中国科学院大连化学物理研究所,催化基础国家重点实验室!大连116023 @崔晓菊$中国科学院大连化学物理研究所,催化基础国家重点实验室!大连116023 @肖建平$中国科学院大连化学物理研究所,催化基础国家重点实验室!大连116023

您可以在本站搜索以下学术论文文献来了解更多相关内容

Perspectives on water science: transport and application of confined water    ZENG XiPing;WU JinBo;LI ShunBo;CHAU YeungYeung;HE GuangHong;WEN WeiJia;YANG GuoZhen;

Unusual phase behavior of decane-dodecane mixtures confined in SBA-15:Size effect on binary phase diagram    

Multilayered graphene membrane as an experimental platform to probe nano-confined electrosorption    Chi Cheng;Julia Uhe;Xiaowei Yang;Yanzhe Wu;Dan Li;

Ion specificity in NaCl solution confined in silicon nanochannels    QIU YingHua;TAN QiYan;SI Wei;CHEN YunFei;

Vapor-liquid equilibrium properties for confined binary mixtures involving CO_2,CH_4,and N_2 from Gibbs ensemble Monte Carlo simulations    

Phase behaviors in a binary mixture of diblock copolymers confined between two parallel walls    潘俊星;张进军;王宝凤;武海顺;孙敏娜;

Promoting effect of ethanol on dewetting transition in the confined region of melittin tetramer    

Photoluminescence quenching of quantum-confined cadmium sulfide clusters by norbornadiene derivatives    谢普会,王雪松,张宝文,曹怡

Liquid-liquid phase transition in water    SUN ZhaoRu;SUN Gang;CHEN YiXuan;XU LiMei;

CALCULATION OF THE YOUNG'S MODULUS OF AN ADSORBED POLYMER LAYER    Rüdiger Stark;Michael Kappl;Hans-Jürgen Butt;

High pressure induced novel phase transition in nano-confined C_(60)Crystals    刘冰冰;姚明光;王霖;刘德弟;崔雯;Bertil Sundqvist;

Chemical reactions confined under graphene cover    Qiang Fu;

On Dynamics of Supercooled D_2O Water in Mesopore Confinement Studied by Double Quantum NMR    黄圣言;朱健志;Anil K.Sinha;黄良平;

Expanding the Chemistry of Perylene:Bottom-up Synthetic Approach towards Graphene Nano-ribbons