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弹性应变对C、H、O在过渡金属氧化物表面吸附的影响
谢天1(), 宋二红2()
Effect of Elastic Strains on Adsorption Energies of C, H and O on Transition Metal Oxides
XIE Tian1(), SONG Erhong2()

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Fig. 1. Lateral and top views of (2×2×4) slab models
(a) (0001) surface of hexagonal close-packed Zn; (b) (111) surface of face-centered cubic Pt; (c) (0001) surface of hexagonal ZnO; (d) (110) surface of tetragonal PtO2; Surfaces are separated by 15 Å of vacuum; T, B, H, and F stand for top, bridge, HCP hollow, and FCC hollow adsorption sites in (a, b); TO, TM, HO, and B stand for top of O, top of metal, hollow, and metal-oxygen bridge adsorption sites in (c, d)
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