Pt thin films on stepped SrTiO3 surfaces:: SrTiO3(620) and SrTiO3(622)

被引:11
作者
Asthagiri, A [1 ]
Sholl, DS [1 ]
机构
[1] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA
基金
美国国家科学基金会;
关键词
low-miller index; Pt slab; chiral metal surface;
D O I
10.1016/j.molcata.2004.03.011
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
As a first step in understanding Pt growth on chiral SrTiO3 surfaces we have examined Pt adsorption on the stepped SrTiO3(6 2 0) and SrTiO3 (6 2 2) surfaces using plane-wave density functional theory. We find that for both stepped SrTiO3 surfaces Pt adsorbs more strongly along the step versus the terrace. We also report on the interface strength of Pt slabs on both terminations of SrTiO3(6 2 0) and (6 2 2). We find that the interface strength is considerably larger than found for Pt slabs on the low-Miller index SrTiO3 surfaces. Our results indicate that step-flow growth of Pt that retains the underlying morphology of the stepped SrTiO3 surface is likely to be favored over island nucleation on terraces. This preliminary work indicates that the growth of thin metal films on chiral metal oxides may be a viable approach to producing cheap chiral metal surfaces. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码:233 / 245
页数:13
相关论文
共 49 条
[1]   Thin Pt films on the polar SrTiO3(111) surface:: an experimental and theoretical study [J].
Asthagiri, A ;
Niederberger, C ;
Francis, AJ ;
Porter, LM ;
Salvador, PA ;
Sholl, DS .
SURFACE SCIENCE, 2003, 537 (1-3) :134-152
[2]   First principles study of Pt adhesion and growth on SrO- and TiO2-terminated SrTiO3(100) [J].
Asthagiri, A ;
Sholl, DS .
JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (22) :9914-9925
[3]  
ASTHAGIRI A, UNPUB
[4]   Electrochemical studies of enantioselectivity at chiral metal surfaces [J].
Attard, GA .
JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (16) :3158-3167
[5]   First principles simulation of a ceramic/metal interface with misfit [J].
Benedek, R ;
Alavi, A ;
Seidman, DN ;
Yang, LH ;
Muller, DA ;
Woodward, C .
PHYSICAL REVIEW LETTERS, 2000, 84 (15) :3362-3365
[6]   Dipole correction for surface supercell calculations [J].
Bengtsson, L .
PHYSICAL REVIEW B, 1999, 59 (19) :12301-12304
[7]   Variations in the nature of metal adsorption on ultrathin Al2O3 films [J].
Bogicevic, A ;
Jennison, DR .
PHYSICAL REVIEW LETTERS, 1999, 82 (20) :4050-4053
[8]   Electronic structure of the polar ZnO{0001}-surfaces [J].
Carlsson, JM .
COMPUTATIONAL MATERIALS SCIENCE, 2001, 22 (1-2) :24-31
[9]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[10]   Adhesion of ultrathin ZrO2(111) films on Ni(111) from first principles [J].
Christensen, A ;
Carter, EA .
JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (13) :5816-5831