메뉴 건너뛰기




Volumn 113, Issue 30, 2009, Pages 13257-13265

Mechanism of N + NO Reaction on Rh(111) surfaces: A precursor-mediated reaction

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC NITROGEN; MEDIATED REACTIONS; NEAR-EDGE X-RAY ABSORPTION FINE STRUCTURE SPECTROSCOPIES; NO DIMER; SECOND LAYER;

EID: 68249112177     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp902583x     Document Type: Article
Times cited : (24)

References (58)
  • 20
    • 0003764608 scopus 로고    scopus 로고
    • Ignarro, L. J., Ed.,Academic Press: San Diego
    • Ignarro, L. J., Ed. Nitric Oxide, Biology, and Pathobiology; Academic Press: San Diego, 2000.
    • (2000) Nitric Oxide, Biology, and Pathobiology
  • 52
    • 68349156450 scopus 로고    scopus 로고
    • DFT calculations were performed with the program package DMol3 in Materials Studio of Accelrys,Inc. The detailed calculation methods were described in the previous works (refs 53and 54), except with using rPBE functional instead of PBE. A (2 × 2) surface unit cell of a slab four layers in thickness (including 16 Rh atoms) was used. The slab was repeated periodically with a 30 Å of vacuum region between the slabs. The adsorbates and two top layers of metal surfaces were allowed to relax in all of the calculations without symmetry restriction. A transition state search was performed with synchronous transition methods to estimate activation energies.
    • DFT calculations were performed with the program package DMol3 in Materials Studio of Accelrys, Inc. The detailed calculation methods were described in the previous works (refs 53and 54), except with using rPBE functional instead of PBE. A (2 × 2) surface unit cell of a slab four layers in thickness (including 16 Rh atoms) was used. The slab was repeated periodically with a 30 Å of vacuum region between the slabs. The adsorbates and two top layers of metal surfaces were allowed to relax in all of the calculations without symmetry restriction. A transition state search was performed with synchronous transition methods to estimate activation energies.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.