氧在SnO_2(110)面吸附机理的研究  

Study on the Adsorption Mechanism of Oxygenon the SnO2(110) Surface

作　　者：吴雄[1] 苏克和[1] 程永清[1] 

机构地区：[1]西北工业大学化学工程系,西安710072

出　　处：《传感技术学报》1996年第2期6-9,共4页Chinese Journal of Sensors and Actuators

基　　金：航空科学基金资助项目

摘　　要：用EHMO方法计算了SnO_2(110)面原子簇模型,并计算了表面存在氧空位和氧原子吸附的情况.计算结果表明,表面四配位锡原子是吸附中心,因电子得失而引起的原子净电荷变化是完全定域的.四配位锡原子的净电荷变化很明显,而五配位锡原子吸附的净电荷变化很小.Cluster models of SnO2(110) face and oxygen vancancies and oxygen adsorp-tion on the surface have been calculated by EHMO method. The results show that a tinatom with a coordination of four is the adsorption center, because total energy is lower,when a oxygen atom adsorpts on the tin atom with a coordination of four, and the tinatom gains and loses electrons more easily than tin atoms with a coordination of five.All tin atoms in the cluster of SnO2(110) face are Sn4+.

关 键 词：二氧化锡 SnO2(110)面 氧吸附机理 气敏半导体材 

分 类 号：TN304.9[电子电信—物理电子学]