A calculation of the surface energies of fcc transition metals
β Scribed by Paul Wynblatt
- Publisher
- Elsevier Science
- Year
- 1984
- Weight
- 249 KB
- Volume
- 136
- Category
- Article
- ISSN
- 0167-2584
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The empirical electron surface model (EESM) based on the empirical electron theory and the dangling bond analysis method has been used to establish a database of surface energy for low-index surfaces of fcc-metals such as Al, Mn, Co, Ni, Cu, Pd, Ag, Pt, Au, and Pb. A brief introduction of EESM will
Application of the semiempirical quantum-chemical INDO/ZMO method in computing the slopes of the energy surface of various ions participating in electron-transfer reactions in solution is presented in this paper. The values of slopes obtained from INDO/Z-MO agree with those obtained from the classic