Study of ammonia molecule adsorbing on d
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Yandong Ma; Hao Jin; Ying Dai; Baibiao Huang
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Article
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2010
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Elsevier Science
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English
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In the present work, the diamond (1 0 0) surface is simulated by using a (2 ร 1) supercell (Fig. ), which includes a slab consisting of 10 carbon layers with two C atoms per plane, plus