Topochemical Synthesis of Ca3CrN3H Involving a Rotational Structural Transformation for Catalytic Ammonia Synthesis

Yu Cao, Maria A. Kirsanova, Masayuki Ochi, Walid Al Maksoud, Tong Zhu, Rohit Rai, Shenghan Gao, Tatsuya Tsumori, Shintaro Kobayashi, Shogo Kawaguchi, Edy Abou-Hamad, Kazuhiko Kuroki, Cédric Tassel, Artem M. Abakumov, Yoji Kobayashi, Hiroshi Kageyama

Research output: Contribution to journalArticlepeer-review

Abstract

Topochemical reactions have led to great progress in the discovery of new metastable compounds with novel chemical and physical properties. With these reactions, the overall crystal structure of the host material is generally maintained. Here we report a topochemical synthesis of a hexagonal nitride hydride, h-Ca3CrN3H, by heating an orthorhombic nitride, o-Ca3CrN3, under hydrogen at 673 K, accompanied by a rotational structural transformation. The hydrogen intercalation modifies the Ca−N rock-salt-like atomic packing in o-Ca3CrN3 to a face-sharing octahedral chain in h-Ca3CrN3H, mimicking a “hinged tessellation” movement. In addition, the h-Ca3CrN3H exhibited stable ammonia synthesis activity when used as a catalyst.

Original languageEnglish
Article numbere202209187
JournalAngewandte Chemie - International Edition
Volume61
Issue number39
DOIs
Publication statusPublished - 26 Sep 2022

Keywords

  • Ammonia Synthesis Catalysis
  • Hydrides
  • Mixed Anions
  • Nitrides
  • Topochemistry

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