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Volumn 114, Issue 43, 2010, Pages 18588-18593

Density functional theory study of NHx (x = 0-3) and N 2 adsorption on IrO2(110) surfaces

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED MOLECULES; BONDING FORCES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY OF STATE; HYDROGEN BONDINGS; LATERAL INTERACTIONS; NITROGEN ATOM; SURFACE ADSORPTION; TRIPLE BONDS;

EID: 78650408683     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1067846     Document Type: Article
Times cited : (26)

References (60)
  • 58
    • 78650359138 scopus 로고    scopus 로고
    • 2 110 surface model was also a 2 × 1 slab model withs the same layer thickness and vacuum space; it was calculated using the same computational settings described herein
    • 2 (110) surface model was also a 2 × 1 slab model withs the same layer thickness and vacuum space; it was calculated using the same computational settings described herein.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.