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采用CNDO/2量子化学计算方法,计算了SnO_2基材料加入不同添加剂后化学成键特征的变化,提出了一个新的掺杂SnO_2基材料的导电模型,从而可以预测新的合适添加剂的导电特性,更好地利用SnO_2基功能材料。
Using CNDO / 2 quantum chemical calculation method, the chemical bonding characteristics of SnO_2-based materials with different additives were calculated. A new conductive model of SnO_2 -doped materials was proposed, which can predict the electrical conductivity of new suitable additives. Better use of SnO 2 -based functional materials.