The charge transfer at the interface of dye@G/AT(101)

• 作 者: Jian-Ying Xi Jia Ran Zhang Hong-Xing
• 机 构: Institute of Theoretical Chemistry,Jilin University,Liutiao Road No.2,Changchun,P.R.China,130023
• 出 处: 中国化学会第14 届全国计算(机)化学学术会议暨分子模拟国际论坛
• 发表日期: 2017年10期
• 关键词: Graphene TiO2 Anatase Interface Electron Transfer

　　The main goal of this work is to study the charge transfer at the interface of graphene enhanced dye sensitized TiO2 solar cell system by using first-principles calculations based on density functional theory(DFT).