ScholarLink (思领科)
错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Electronic Structure of NoO2

  • 期刊论文

  • 发表日期：

    2024年9月1日

查看全文
  • Yu. A. Teterin,
  • M. V. Ryzhkov,
  • A. E. Putkov,
  • K. I. Maslakov,
  • A. Yu. Teterin,
  • K. E. Ivanov,
  • S. N. Kalmykov,
  • V. G. Petrov

摘要

Abstract

The electronic structure of NoO2 and the valence-band X-ray photoelectron spectrum (XPS) in the energy range from 0 eV to ~40 eV are calculated by the relativistic discrete variation method. Significant covalency effects are observed in NoO2, which are due to a considerable overlap of not only No 6d AO but also No 6p and No 5f AOs with oxygen orbitals. The MO histogram and scheme are derived, which enable the comprehension of features of the chemical bond nature and the structure of the XPS spectrum of valence electrons in NoO2.