The Formation of Surface Li-Fe Ternary Hydride and its Function on Catalytic Ammonia Synthesis at Low Temperatures.

Title The Formation of Surface Li-Fe Ternary Hydride and its Function on Catalytic Ammonia Synthesis at Low Temperatures.
Authors P. Wang; H. Xie; J. Guo; Z. Zhao; X. Kong; W. Gao; F. Chang; T. He; G. Wu; M. Chen; L. Jiang; P. Chen
Journal Angew Chem Int Ed Engl
DOI 10.1002/anie.201703695
Abstract

LiH has strong effect on Fe leading to ca. 3 orders-of-magnitude activity increase in catalyzing ammonia synthesis. The existence of Li-Fe ternary hydride species at the surface/interface of the catalyst were identified and characterized for the first time by gas-phase optical spectroscopy coupled with mass spectrometry and quantum chemical calculation. Those ternary hydride species may serve as active center and can readily activate and hydrogenate N2 forming Fe-(NH2)-Li and LiNH2 moieties possibly through the redox of N2 and hydridic H (LiH) that is mediated by Fe, showing distinct differences from ammonia formation on conventional Fe or Ru based catalysts. Hydrogen associated activation and conversion of N2 are thus discussed.

Citation P. Wang; H. Xie; J. Guo; Z. Zhao; X. Kong; W. Gao; F. Chang; T. He; G. Wu; M. Chen; L. Jiang; P. Chen.The Formation of Surface Li-Fe Ternary Hydride and its Function on Catalytic Ammonia Synthesis at Low Temperatures.. Angew Chem Int Ed Engl. 2017. doi:10.1002/anie.201703695

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