Electronic structure of N-doped graphene with native point defects

著录项

• 来源
  《Physical review》 |2013年第16期|165401.1-165401.16|共16页
• 作者

  Zhufeng Hou; Xianlong Wang; Takashi Ikeda; Kiyoyuki Terakura; Masaharu Oshima; Masa-aki Kakimoto;

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• 作者单位

  Department of Organic and Polymeric Materials, Graduate School of Science and Engineering, Tokyo Institute of Technology, 2-12-1 S5-20, Ookayama, Tokyo 152-8552, Japan;

  Department of Organic and Polymeric Materials, Graduate School of Science and Engineering, Tokyo Institute of Technology, 2-12-1 S5-20, Ookayama, Tokyo 152-8552, Japan;

  Condensed Matter Science Division, Quantum Beam Science Directorate, Japan Atomic Energy Agency (JAEA), 1-1-1 Kouto, Sayo, Hyogo 679-5148, Japan;

  Department of Organic and Polymeric Materials, Graduate School of Science and Engineering, Tokyo Institute of Technology, 2-12-1 S5-20, Ookayama, Tokyo 152-8552, Japan,Research Center for Integrated Science, Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292, Japan;

  Department of Applied Chemistry, The University of Tokyo, 7-3-1 Bunkyo-ku, Tokyo 113-8656, Japan;

  Department of Organic and Polymeric Materials, Graduate School of Science and Engineering, Tokyo Institute of Technology, 2-12-1 S5-20, Ookayama, Tokyo 152-8552, Japan;

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• 收录信息
• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  ab initio calculations of adsorbate structure and reactions; surface structure, reactivity and catalysis; surface and interface chemistry; heterogeneous catalysis atrnsurfaces;

  机译：从头计算吸附物的结构和反应;表面结构;反应性和催化作用;表面和界面化学非均相催化表面;