生成β-C_3N_4的热力学与化学动力学计算

THERMODYNAMIC AND CHEMICAL DYNAMIC CALCULATION OF β-C_3N_4 FILM GROWTH

提出了磁控溅射法合成碳化氮实验中 β C3N4 ,P C3N4 ,— ( C2 N2 ) n— 3种结构的最可能生长模式 ,采用化学热力学方法计算了生成这 3种结构的反应在不同温度下的平衡常数 ,并用化学动力学方法计算了各中间产物和β C3N4 ,P C3N4 ,— ( C2 N2 ) n—的化学反应速率常数 .这些结论对β C3N4 晶体生长于非晶相中这一普遍实验现象给予一种可能的解释 .

This paper suggests a growth model of β C 3N 4, PC 3N 4 and —(C 2N 2) n — via magnetron sputtering and calculates the equilibrium constant of the reactions producing β C 3N 4, PC 3N 4 and —(C 2N 2) n —. The rates of the reactions for fabricating β C 3N 4, PC 3N 4 and some middle products have been calculated. A possible explanation to the fact that there is usually microcrystalline β C 3N 4 bed in amorphous phases on the substrate is made based on these calculations.