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Volumn 111, Issue 28, 2007, Pages 10142-10145

Understanding ceria nanoparticles from first-principles calculations

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL LATTICES; DENSITY FUNCTIONAL THEORY; NANOPARTICLES; OXYGEN VACANCIES; THERMAL EXPANSION;

EID: 34547509873     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp072787m     Document Type: Article
Times cited : (96)

References (38)
  • 37
    • 34547535916 scopus 로고    scopus 로고
    • For the nanoparticles, apart from DFT+U solutions with unpaired electrons localized in Ce 4f orbitais, one also finds a variety of almost degenerate solutions, which are delocalized to a different extent.
    • For the nanoparticles, apart from DFT+U solutions with unpaired electrons localized in Ce 4f orbitais, one also finds a variety of almost degenerate solutions, which are delocalized to a different extent.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.