Dissociation and reconstruction of double-decker bis(phthalocyaninato) terbium(III) complex (TbPc₂) on Pd(001): A theoretical investigation

详细信息    查看全文

• 作者：Heng Liu ; Yujie Hu ; Hao Wang ; Bo Jiang ; Xuechun Xu ; Yingxiang Cai ; ^{yingxiangcai@ncu.edu.cn}
• 关键词：Density functional theory ; Molecule dissociation ; Charge transfer ; Surface reconstruction
• 刊名：Surface Science
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：655
• 期：Complete
• 页码：12-16
• 全文大小：1806 K
• 卷排序：655

文摘

Pc and TbPc might coexist on Pd(001) after double-decker TbPc2 dissociation. The TbPc2 will form a new (5×3) reconstruction on Pd(001) surface. The (5×3) reconstruction will be inherited after TbPc2 dissociation. The Tb-down is proved to be the stable status of TbPc on metal substrate.