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Nature materials v.17 no.6, 2018년, pp.514 - 518   SCI SCIE
본 등재정보는 저널의 등재정보를 참고하여 보여주는 베타서비스로 정확한 논문의 등재여부는 등재기관에 확인하시기 바랍니다.

Atomic origins of water-vapour-promoted alloy oxidation

Luo, Langli    (Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA, USA   ); Su, Mao    (Computational Mathematics Group, Pacific Northwest National Laboratory, Richland, Washington, USA   ); Yan, Pengfei    (CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing, China   ); Zou, Lianfeng    (School of Physical Sciences, University of Chinese Academy of Sciences, Beijing, China   ); Schreiber, Daniel K.    (Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA, USA   ); Baer, Donald R.    (Department of Mechanical Engineering & Multidisciplinary Program in Materials Science and Engineering, State University of New York, Binghamton, NY, USA   ); Zhu, Zihua    (Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, WA, USA   ); Zhou, Guangwen    (Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA, USA   ); Wang, Yanting    (Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA, USA   ); Bruemmer, Stephen M.    (Department of Mechanic  ); Xu, Zhijie   Wang, Chongmin  

  • 초록  

    The presence of water vapour, intentional or unavoidable, is crucial to many materials applications, such as in steam generators, turbine engines, fuel cells, catalysts and corrosion 1–4 . Phenomenologically, water vapour has been noted to accelerate oxidation of metals and alloys 5,6 . However, the atomistic mechanisms behind such oxidation remain elusive. Through direct in situ atomic-scale transmission electron microscopy observations and density functional theory calculations, we reveal that water-vapour-enhanced oxidation of a nickel–chromium alloy is associated with proton-dissolution-promoted formation, migration, and clustering of both cation and anion vacancies. Protons derived from water dissociation can occupy interstitial positions in the oxide lattice, consequently lowering vacancy formation energy and decreasing the diffusion barrier of both cations and anions, which leads to enhanced oxidation in moist environments at elevated temperatures. This work provides insights into water-vapour-enhanced alloy oxidation and has significant implications in other material and chemical processes involving water vapour, such as corrosion, heterogeneous catalysis and ionic conduction.


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