Acta Phys. -Chim. Sin. ›› 1989, Vol. 5 ›› Issue (04): 469-473.doi: 10.3866/PKU.WHXB19890417
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Yu Hengtai*; Ding Yu; Cui Changxin
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Abstract: The bonding and configuration of the chemisorption of NH_3 at the on-top and hollow sites of Ni(111) surfaces are calculated and discussd by use of MO theory and energy band theory. The results show that the density of state and crystal orbital overlap population of the adsorption state at the on-top site have superiority over those of hollow site.
Yu Hengtai*; Ding Yu; Cui Changxin. A THEORETICAL STUDY OF THE CHEMISORPTION OF NH3 ON Ni (111) SURFACES[J]. Acta Phys. -Chim. Sin. 1989, 5(04), 469-473. doi: 10.3866/PKU.WHXB19890417
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URL: https://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB19890417
https://www.whxb.pku.edu.cn/EN/Y1989/V5/I04/469
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