Surface-termination-dependent Pd bonding and aggregation of nanoparticles on LaFeO3 (001)

CORC > 宁波材料技术与工程研究所 > 中国科学院宁波材料技术与工程研究所 > 宁波所知识产出

	Surface-termination-dependent Pd bonding and aggregation of nanoparticles on LaFeO3 (001)
	Liang Chen，George W. Graham，Xiaoqing Pan ; Baihai Li,1,2,3 Michael B. Katz,2 Qiuju Zhang,1 Liang Chen,1,a) George W. Graham,2,a) and Xiaoqing Pan2,a)
刊名	J. Chem. Phys.
	2013-04-09
期号	14 页码:144705-1—144705-7
通讯作者	Liang Chen，George W. Graham，Xiaoqing Pan
合作状况	李雨桐
中文摘要	The bonding and morphology of Pd clusters deposited on the LaO- and FeO2-terminated LaFeO3 (001) surface were studied using periodic density functional methods together with scanning transmission electron microscopy. We show that Pd tends to aggregate to three-dimensional (3D) clusters on both terminations since the Pd-Pd cohesive energy is larger than the Pd-LaFeO3 adhesive energy. However, from the kinetic point of view, Pd migration on the LaO termination is facile, while stronger interactions between Pd and the FeO2 termination significantly hinder the migration of Pd. Furthermore, molecular dynamics simulations demonstrate that Pd would agglomerate into 3D metallic and PdOx particles on the LaO and FeO2 terminations, respectively, and hint at the possibility of partial penetration of the PdOx particles into the surface, as observed experimentally.
学科主题	物理化学
原文出处	SCI收录
公开日期	2013-12-16
内容类型	期刊论文
源URL	[http://ir.nimte.ac.cn/handle/174433/9883]
专题	宁波材料技术与工程研究所_宁波所知识产出
推荐引用方式 GB/T 7714	Liang Chen，George W. Graham，Xiaoqing Pan,Baihai Li,1,2,3 Michael B. Katz,2 Qiuju Zhang,1 Liang Chen,1,a) George W. Graham,2,a) and Xiaoqing Pan2,a). Surface-termination-dependent Pd bonding and aggregation of nanoparticles on LaFeO3 (001)[J]. J. Chem. Phys.,2013(14):144705-1—144705-7.
APA	Liang Chen，George W. Graham，Xiaoqing Pan,&Baihai Li,1,2,3 Michael B. Katz,2 Qiuju Zhang,1 Liang Chen,1,a) George W. Graham,2,a) and Xiaoqing Pan2,a).(2013).Surface-termination-dependent Pd bonding and aggregation of nanoparticles on LaFeO3 (001).J. Chem. Phys.(14),144705-1—144705-7.
MLA	Liang Chen，George W. Graham，Xiaoqing Pan,et al."Surface-termination-dependent Pd bonding and aggregation of nanoparticles on LaFeO3 (001)".J. Chem. Phys. .14(2013):144705-1—144705-7.