化学气相沉积反应研究的量子化学方法及应用  

Quantum chemistry methods and their applications to CVD reaction system

作　　者：王君[1] 陈长琦[1] 朱武[1] 刘珍[1] 陈明[1] 

机构地区：[1]合肥工业大学机械与汽车工程学院,安徽合肥230009

出　　处：《真空》2004年第6期19-23,共5页Vacuum

摘　　要：量子化学方法在研究化学气相沉积反应体系的反应机理、动力学计算方面有很大的潜力。本文分析了化学气相沉积过程的特点,并对量子化学计算的主要方法进行介绍。在此基础上,针对气相和表面基元过程的量子化学研究现状进行总结和评述。To study the reaction mechanism of CVD (chemical vapor deposition) reaction system, quantum chemistry methods are proved highly potential. Analyzing the characteristics of CVD process, the main calculation in quantum chemistry methods was introduced. Then, the current situation of applying quantum chemistry methods to the elementary processes in gas phase and on surface were reviewed and discussed.

关 键 词：化学气相沉积 反应机理 综述 量子化学 

分 类 号：O641.12[理学—物理化学]