高等学校化学学报

高等学校化学学报 ›› 1995, Vol. 16 ›› Issue (10): 1626.

• 研究简报 • 上一篇    下一篇

CoO(100)表面高分辩电子能损失谱与量子化学的从头算

石守衡   

  1. 大连轻工业学院基础部物理化学教研室, 大连, 116034
  • 收稿日期:1994-10-31 修回日期:1995-04-20 出版日期:1995-10-24 发布日期:1995-10-24
  • 通讯作者: 石守衡,男,33岁,硕士,副教授.
  • 作者简介:石守衡,男,33岁,硕士,副教授.

High Resolution EELS and Ab-Initio Calculation for CoO(100)Surface

SHI Shou-Heng   

  1. Elementary Educational Department, Dalian Light Industrial College, Dalian, 116034
  • Received:1994-10-31 Revised:1995-04-20 Online:1995-10-24 Published:1995-10-24

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关键词: CoO(100)表面, 高分辩电子能损失谱, 从头算

Abstract: The d-d transition of Co2+on the CoO(100) surface and its EELS were indentified by using ab initio calculation.In addition to the previously documented EELS of CoO(100)surface,two new states at energy of 0.45 eV and 0.7-0.8 eV were found.

Key words: CoO(100)surface, EELS, Ab initio calculation

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