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316124148鐵蟲 (小有名氣)
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[求助]
求助Pd二十面體的分散度計(jì)算方法
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大家好!以下是我計(jì)算Pd二十面體分散度的方法。請(qǐng)大家檢查下是否對(duì)不;蛘哂衅渌(jì)算方法請(qǐng)大家多多指教。謝謝啦。 Calculation dispersion of Pd icosahedron The Pd icosahedron sample has an average edge length of 14.5 nm. Its volume is: (15+5×adical sign(5)) /12 ×(14.5 nm)3 = 6651.17 nm3 Pd has the face-centered-cubic structure with a lattice constant of 0.389 nm. The volume of a unit cell is : (0.389 nm)3 = 0.0589 nm3, Each unit cell contains 4 Pd atoms. The number of Pd atoms in a single Pd icosahedron is: (6651.17 nm3) / (0.0589 nm3) ×4 = 451692, Its total surface area is: (14.5 nm)2 ×( 5 adical sign(3))= 1820.8 nm2, Each two-dimensional unit cell on the (111) facet contains two Pd atoms. Its area is (0.389 nm)2 = 0.151 nm2 The number of the surface Pd atoms on a single Pd icosahedron is: 1820.8 nm2/(0.151 nm2) × 2 = 24117 The dispersion of a single Pd icosahedron is: 24117/451692 = 0.05 主要有疑問的地方就是上面標(biāo)下劃線的地方。不知道這樣算對(duì)不?謝謝大家咯。 |

新蟲 (初入文壇)
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