메뉴 건너뛰기




Volumn 382, Issue 1-3, 1997, Pages

The structure and phase stability of CO adsorbates on Rh(110)

Author keywords

Carbon monoxide; Chemisorption; Density functional calculations; Ising models; Rhodium; Surface thermodynamics

Indexed keywords

ANISOTROPY; CARBON MONOXIDE; CHEMISORPTION; COMPUTATIONAL METHODS; CRYSTAL ORIENTATION; ELECTRONIC DENSITY OF STATES; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; ORDER DISORDER TRANSITIONS; SURFACE STRUCTURE; THERMODYNAMICS;

EID: 0031169535     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00126-X     Document Type: Article
Times cited : (9)

References (26)
  • 2
    • 0026860599 scopus 로고
    • G. Comelli, V.R. Dhanak, M. Kiskinova, N. Pangher, G. Paolucci, K.C. Prince, R. Rosei, Surf. Sci. 260 (1992) 7; Surf. Sci. 269/270 (1992) 360.
    • (1992) Surf. Sci. , vol.269-270 , pp. 360
  • 23
    • 30244572083 scopus 로고    scopus 로고
    • note
    • We have performed our fit by allowing the strength of the dipole dipole interaction to depend on the order of neighbor. We have used a data set of thirteen structures and obtained a mean square error between fitted and calculated energies of 1.5 meV per molecule, with a maximum error of 3 meV. The error in the equilibrium value of the θ angle is of the order of a few degrees.
  • 25
    • 30244574165 scopus 로고    scopus 로고
    • note
    • 〈θ〉 E[〈θ σ(π, 2)〉].


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.