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Volumn 110, Issue 24, 2006, Pages 11977-11981

Mechanism for NO2 charging on metal supported MgO

Author keywords

[No Author keywords available]

Indexed keywords

ADHESION; ADSORPTION; CHARGE TRANSFER; INTERFACES (MATERIALS); NITROGEN OXIDES; OXIDATION; PROBABILITY DENSITY FUNCTION;

EID: 33745685795     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0616415     Document Type: Article
Times cited : (88)

References (44)
  • 22
    • 84906373380 scopus 로고    scopus 로고
    • note
    • The number of electrons treated variationally for each element is N(5), O(6), Na(9), Mg(10), Ag(11), and Pt(10).
  • 36
    • 84906359008 scopus 로고    scopus 로고
    • note
    • In addition to the modification of the oxide/metal interface, there is a local structural relaxation around the adsorbate (Figure 1). As the film is only two atomic layers, this relaxation could influence the geometry at the interface, However, as no structural constraints are put on the atoms at the interface, the shortening of the oxide-metal bond reflects a change of the position of the potential energy surface minimum.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.