메뉴 건너뛰기




Volumn 110, Issue 51, 2006, Pages 25578-25581

N+NO reaction on Rh(111) surfaces studied with fast near-edge X-ray absorption fine structure spectroscopy: Role of NO dimer as an extrinsic precursor

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISORPTION; DIMERS; REACTION KINETICS; SURFACE PHENOMENA; THERMOANALYSIS; X RAY SPECTROSCOPY;

EID: 33846349535     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0665933     Document Type: Article
Times cited : (18)

References (23)
  • 8
    • 0003764608 scopus 로고    scopus 로고
    • Ignarro, L. J. Ed, Academic Press: San Diego
    • Nitric Oxide, Biology and Pathobiology; Ignarro, L. J. Ed.; Academic Press: San Diego, 2000.
    • (2000) Nitric Oxide, Biology and Pathobiology
  • 17
    • 84906405374 scopus 로고    scopus 로고
    • Supporting Information
    • (b) Supporting Information.
  • 18
    • 84906362216 scopus 로고    scopus 로고
    • 15 indicated that the chemisorbed NO molecules cannot react with the atomic N due to a high activation barrier. They react with the N atoms above 350 K as their diffusion becomes active at the high temperatures.
    • 15 indicated that the chemisorbed NO molecules cannot react with the atomic N due to a high activation barrier. They react with the N atoms above 350 K as their diffusion becomes active at the high temperatures.
  • 19
    • 84906390832 scopus 로고    scopus 로고
    • We conducted DFT calculations to check this reaction model qualitatively because NO dimer is one of the molecules that are not treated explicitly within the state-of-the-art DFT methods.17 The detailed calculation methods were described in the previous works.18,19 The DFT calculations were performed with the program package DMol3 in Materials Studio (version 2.2) of Accelrys Inc. A (2 × 2) surface unit cell of a slab of four layers' thickness (including 16 Rh atoms) was used. The slab was repeated periodically with a 30 A of vacuum region between the slabs. The adsorbates and the two top layers of metal surfaces were allowed to relax in all the calculations without symmetry restriction. Transition state search was performed with synchronous transition methods to estimate activation.17,18 We have found that the reaction scheme is energetically reasonable also for the DFT calculations, although the absolute adsorption energies are overestimated with
    • 17,18 We have found that the reaction scheme is energetically reasonable also for the DFT calculations, although the absolute adsorption energies are overestimated within the tendency of the state-of-the-art DFT method. The negative activation energy is also confirmed.
  • 20
    • 36449006894 scopus 로고    scopus 로고
    • The N-K NEXAFS of the physisorbed NO monomer is expected to be similar to that of isolated NO in the gas phase. It exhibits a sharp N1s → π* peak at around 399 eV (Kosugi, N.; Adachi J.; Shigemasa E.; Yagisita. A. J. Chem. Phys. 1992, 97, 8842). Such a peak is not observed in the present spectra.
    • The N-K NEXAFS of the physisorbed NO monomer is expected to be similar to that of isolated NO in the gas phase. It exhibits a sharp N1s → π* peak at around 399 eV (Kosugi, N.; Adachi J.; Shigemasa E.; Yagisita. A. J. Chem. Phys. 1992, 97, 8842). Such a peak is not observed in the present spectra.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.