【摘要】 采用离子型化合物函数模型,对CdSiP2多晶合成过程的反应焓、熵、Gibbs自由能以及化学平衡常数等热力学参数进行了计算,在1473 K合成CdSiP2多晶时,系统的焓变ΔrHT<0,熵增加值ΔrST为负,Gibbs自由能ΔrGT=-29.68 kJ/mol,平衡常数KT=11.289。结果表明:在1473 K合成CdSiP2多晶,化合反应速率很大,反应充分,产物生成率高,系统趋于稳定。根据计算结果提供的温度1473 K进行CdSiP2多晶合成实验,获得了外观呈紫红色,完整致密的多晶锭,经X射线衍射和光电子能谱分析表明,合成产物为高纯、单相的CdSiP2多晶材料。采用合成的多晶料为原料进行单晶生长,获得了结晶性较好的CdSiP2单晶体。更多还原

【Abstract】 According to function model of ionic compounds,the molar entropy,molar enthalpy,Gibbs free energy and balance constant of CdSiP2 synthesis reaction were calculated.The molar entropy ΔrHT<0 and molar enthalpy ΔrST<0 at 1473 K,when the Gibbs free energy ΔrGT and the balance constant KT equal-29.68 kJ/mol and 11.289 respectively,which shows that the synthesis has a complete reaction with high rate and production formation rate is high,and the system tends to be stable.Based on the thermodynamics analysis,the temperature 1473 K was applied on synthesis reaction of CdSiP2.A integral,compact polycrystalline ingot with purple color was obtained,XRD and XPS analysis of which indicates the synthesized material was highly pure and single phase CdSiP2 polycrystalline.An integrity CdSiP2 single crystal was grown by modified Bridgman method using synthesized polycrystalline materials.更多还原