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Volumn 113, Issue 1, 2009, Pages 193-203

Modeling hydrogen sulfide adsorption on mo-edge mos2 surfaces under solid oxide fuel cell conditions

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED OXYGENS; ADSORBED SULFURS; ADSORPTION SITES; ADSORPTION/DESORPTION; ANODE SURFACES; HYDROGEN SULFIDE ADSORPTIONS; KINETIC BARRIERS; KINETIC MODELS; MOLYBDENUM SULFIDES; OPERATING CONDITIONS; PHASE-BOUNDARY; REACTION MECHANISMS; SOLID OXIDES; SURFACE ATOMS; TRANSITION STATE;

EID: 61649112448     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp711202q     Document Type: Article
Times cited : (25)

References (24)
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    • Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558. (b) Kresse, G. Thesis, Technische Universität Wien, 1993. (c) Kresse, G.; Furthmüller J. Comput. Mater. Sci. 1996, 6, 15. (d) Kresse, G.; Furthmüller, J. Pys. ReV. B 1996, 54, 11169.
    • (a) Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558. (b) Kresse, G. Thesis, Technische Universität Wien, 1993. (c) Kresse, G.; Furthmüller J. Comput. Mater. Sci. 1996, 6, 15. (d) Kresse, G.; Furthmüller, J. Pys. ReV. B 1996, 54, 11169.
  • 19
    • 65249095049 scopus 로고    scopus 로고
    • Mills, G.; Jónsson, H.; Schenter, G. K. Surf. Sci. 1995, 324, 305. (b) Jónsson, H.; Mills, G.; Jacobsen, K. W. Nudged elastic band method for finding minimum energy paths of transitions. In Classical and Quantum Dynamics in Condensed Matter Phase Simulations; Berne, B. J., Ciccotti, G., Coker, D. F., Eds.; World Scientific: Singapore, 1998; p 385.
    • (a) Mills, G.; Jónsson, H.; Schenter, G. K. Surf. Sci. 1995, 324, 305. (b) Jónsson, H.; Mills, G.; Jacobsen, K. W. Nudged elastic band method for finding minimum energy paths of transitions. In Classical and Quantum Dynamics in Condensed Matter Phase Simulations; Berne, B. J., Ciccotti, G., Coker, D. F., Eds.; World Scientific: Singapore, 1998; p 385.
  • 21
    • 65249143028 scopus 로고    scopus 로고
    • accessed March 2008
    • http://webbook.nist.gov/chemistry (accessed March 2008).
  • 22
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    • MatLab software (version 7.1.0.183, R14, Service Pack 3) situated on the Glacier group of computers, part of the Westgrid facility, accessed November 2007
    • MatLab software (version 7.1.0.183, R14, Service Pack 3) situated on the "Glacier" group of computers, part of the Westgrid facility, www.mathworks.com (accessed November 2007).
  • 23
    • 0003998388 scopus 로고    scopus 로고
    • 85th ed, Lide, D. R, Ed, CRC Press: New York
    • Handbook of Chemistry and Physics, 85th ed.; Lide, D. R., Ed.; CRC Press: New York, 2004-2005.
    • (2004) Handbook of Chemistry and Physics


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.