Density Functional Theory study of the structural and electronic properties of H3PO4/ZSM-5

摘要：

In this work, a Density Functional Theory (DFT) study has been carried out to investigate the structural and electronic properties of H3PO4/ZSM-5 (extra-framework and framework modification).

作者: Yanping Huang Xiuqin Dong Mengmeng Li Minhua Zhang Yingzhe Yu

作者单位: Key Laboratory for Green Chemical Technology of Ministry of Education,R&D Center for Petrochemical Technology,Tianjin University,Tianjin 300072,P.R.China

会议类型: 国内会议

会议名称: 第七届国际分子模拟与信息技术应用学术会议

会议地点: 苏州

会议语种:英文

页码: 489-497

在线出版日期: 2014-10-26（万方平台首次上网日期，不代表论文的发表时间）