Independent and interdependent atomistic structural features of Pd clusters supported on the MgO(001) surface

被引:12
作者
Yamauchi, R
Kubo, M
Miyamoto, A [1 ]
Vetrivel, R
Broclawik, E
机构
[1] Tohoku Univ, Grad Sch Engn, Dept Chem Mat, Sendai, Miyagi 98077, Japan
[2] Natl Chem Lab, Catalysis Div, Pune 411008, Maharashtra, India
[3] Polish Acad Sci, Inst Catalysis, PL-30239 Krakow, Poland
关键词
D O I
10.1021/jp9720350
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
Pd particles supported on the MgO(001) surface were simulated by the molecular dynamics (MD) method. The surface and inner structures of the particles as well as the interaction sites of the Pd atoms were investigated by using computer graphics (CG) techniques. The numerical features of the surface atomic rows, the inplane symmetric configurations, the height deviation of the layer, and the lattice length defined by the distance between near neighboring rows were estimated. The dependency and the interdependence of these atomistic characteristics were evaluated. The findings on the lattice spaces were compared with the experimental and other theoretical calculation results.
引用
收藏
页码:795 / 803
页数:9
相关论文
共 44 条
[1]   INVESTIGATIONS OF PD CLUSTERS BY THE COMBINED USE OF HREM, STM, HIGH-ENERGY SPECTROSCOPIES AND TUNNELING CONDUCTANCE MEASUREMENTS [J].
AIYER, HN ;
VIJAYAKRISHNAN, V ;
SUBBANNA, GN ;
RAO, CNR .
SURFACE SCIENCE, 1994, 313 (03) :392-398
[2]  
Allmang M. Z., 1992, SURF SCI REP, V16, P377
[3]   STRUCTURE OF ONE-ATOMIC-LAYER TITANIUM-OXIDE ON SILICON-OXIDE AND ITS PALLADIUM-MEDIATED RESTRUCTURING [J].
ASAKURA, K ;
INUKAI, J ;
IWASAWA, Y .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (02) :829-834
[4]   A STRUCTURAL INVESTIGATION ON SMALL GOLD CLUSTERS BY EXAFS [J].
BALERNA, A ;
BERNIERI, E ;
PICOZZI, P ;
REALE, A ;
SANTUCCI, S ;
BURATTINI, E ;
MOBILIO, S .
SURFACE SCIENCE, 1985, 156 (JUN) :206-213
[5]   SINTERING KINETICS OF SUPPORTED METALS - NEW PERSPECTIVES FROM A UNIFYING GPLE TREATMENT [J].
BARTHOLOMEW, CH .
APPLIED CATALYSIS A-GENERAL, 1993, 107 (01) :1-57
[6]   A MULTICENTER NUMERICAL-INTEGRATION SCHEME FOR POLYATOMIC-MOLECULES [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (04) :2547-2553
[7]   CO OXIDATION OVER PD AND CU CATALYSTS .3. REDUCED AL2O3-SUPPORTED PD [J].
CHOI, KI ;
VANNICE, MA .
JOURNAL OF CATALYSIS, 1991, 131 (01) :1-21
[8]   STUDY OF CO, NO, AND H-2 ADSORPTION ON MODEL PD/ALPHA-AL2O3(0001) CATALYSTS [J].
CORDATOS, H ;
BUNLUESIN, T ;
GORTE, RJ .
SURFACE SCIENCE, 1995, 323 (03) :219-227
[9]   IN-SITU, REAL-TIME OBSERVATION OF AL CHEMICAL-VAPOR-DEPOSITION ON SIO2 IN AN ENVIRONMENTAL TRANSMISSION ELECTRON-MICROSCOPE [J].
DRUCKER, J ;
SHARMA, R ;
WEISS, K ;
KOUVETAKIS, J .
JOURNAL OF APPLIED PHYSICS, 1995, 77 (06) :2846-2848
[10]  
DUINN J, 1990, PHYS REV B, V42, P11348