메뉴 건너뛰기




Volumn 13, Issue 2, 2010, Pages 240-243

Synthesis, crystal, luminescent properties and electronic structures of two copper(I) halide polymers based on Cu4I4 cubane tetramers

Author keywords

Copper(I) halide polymers; Electronic structures; Luminescent emission; Optical diffuse reflectance spectroscopy

Indexed keywords


EID: 74149092897     PISSN: 13877003     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.inoche.2009.11.021     Document Type: Article
Times cited : (17)

References (36)
  • 24
    • 74149092721 scopus 로고    scopus 로고
    • note
    • -1): 3300s, 3250s, 2931w, 2868w, 1581m, 1452w, 1155m, 1064vs, 999m, 754m, 664m.
  • 25
    • 74149090126 scopus 로고    scopus 로고
    • note
    • 2 with anisotropic displacement parameters for all non-hydrogen atoms. All calculations were performed on a computer with SHELXTL-PC program package.
  • 31
    • 74149091390 scopus 로고    scopus 로고
    • note
    • 4 powder was used as a standard (100% reflectance). The instrument was equipped with an integrating sphere. The data were converted from UV-Vis DRIS (Ultraviolet-Visible Diffuse Reflection Integral Spectrum) using the Kubelka-Munk function.
  • 32
    • 74149090475 scopus 로고    scopus 로고
    • note
    • The generalized gradient approximation (GGA) with the Perdew-Burke-Ernzerh (PBE) exchange correlation functional was used with cutoff energy of 320 eV, a Fermi smering of 0.1 eV and k-grid sampling of 3 × 3 × 2 (for 1) and 2 × 3 × 2 (for 2) in the Brillouin zones. The electronic wave functions were expanded in plane wave basis sets, and the interactions between the ionic cores and the electrons were described by the ultrasoft pseudopotential.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.