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Volumn 114, Issue 32, 2010, Pages 13813-13824

Density functional calculations and IR reflection absorption spectroscopy on the interaction of SO2 with oxide-supported Pd nanoparticles

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION BAND; ADSORPTION CONFORMATION; CATION INTERMIXING; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL CALCULATIONS; INDIVIDUAL COMPONENTS; INFORMATION CONCERNING; INFRARED REFLECTION ABSORPTION SPECTROSCOPY; IR REFLECTION ABSORPTION SPECTROSCOPY; OXIDE COMPONENTS; PD NANO PARTICLE; SITE BLOCKING; SITE-SPECIFICITY; STORAGE AND REDUCTION; STRUCTURE AND ENERGETICS; SUPPORTED PD; SYSTEMATIC STUDY;

EID: 77956161313     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp105097z     Document Type: Article
Times cited : (18)

References (82)
  • 68
    • 77956150898 scopus 로고    scopus 로고
    • A 6-layered (2 ×2) (3 × 3) cell employing a Monkhorst-pack k-point 9 ×9 ×1 grid has been used for this calculation
    • A 6-layered (2 ×2) (3 × 3) cell employing a Monkhorst-pack k-point 9 ×9 ×1 grid has been used for this calculation.
  • 69
    • 77956148107 scopus 로고    scopus 로고
    • note
    • 79 nanoparticle suffer from deviations in this quantity below 2 pm.
  • 72
    • 77956164732 scopus 로고    scopus 로고
    • note
    • 2 adsorption, and due to its planar conformation, the IRAS signals are expected to be rather difficult to identify.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.