Structure and dynamics at the Pt(100)-surface

被引：0
|
作者：
Wachter, A
Bohnen, KP
Ho, KM
机构：
[1] US DOE, AMES LAB, AMES, IA 50011 USA
[2] IOWA STATE UNIV SCI & TECHNOL, DEPT PHYS, AMES, IA 50011 USA
来源：
ANNALEN DER PHYSIK | 1996年 / 5卷 / 03期
关键词：
density functional calculations; platinum; surface relaxation;
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Using first-principles total-energy calculations the lattice relaxation, surface energy, work function and surface phonons have been determined for the Pt(100)-surface, Calculation of forces allows for a very efficient determination of equilibrium geometries and interplanar force constants. Results will be presented and compared with available experimental information.
引用
收藏
页码：215 / 223
页数：9
相关论文
共 50 条
  • [1] STRUCTURE OF PT(100) SURFACE
    CLARKE, TA
    MASON, R
    TESCARI, M
    SURFACE SCIENCE, 1973, 40 (01) : 1 - 14
  • [2] STRUCTURE OF PT(100) SURFACE
    GRANT, JT
    HAAS, TW
    SURFACE SCIENCE, 1969, 18 (02) : 457 - &
  • [3] Structure and dynamics at the Pd(100) surface
    Wachter, A
    Bohnen, KP
    Ho, KM
    SURFACE SCIENCE, 1996, 346 (1-3) : 127 - 135
  • [4] ON THE STRUCTURE OF THE PT(100) AND PT(110) ELECTRODE SURFACE IN IODIDE SOLUTIONS
    ALBERS, J
    BALTRUSCHAT, H
    KAMPHAUSEN, I
    JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1995, 395 (1-2): : 99 - 105
  • [5] ELECTRONIC BAND-STRUCTURE OF THE PT(100) SURFACE
    STAMPFL, APJ
    MARTIN, R
    GARDNER, P
    BRADSHAW, AM
    PHYSICAL REVIEW B, 1995, 51 (15): : 10197 - 10200
  • [6] COMPARISON OF THE STRUCTURE AND DYNAMICS OF WATER AT THE PT(111) AND PT(100) INTERFACES - MOLECULAR-DYNAMICS STUDY
    RAGHAVAN, K
    FOSTER, K
    BERKOWITZ, M
    CHEMICAL PHYSICS LETTERS, 1991, 177 (4-5) : 426 - 432
  • [7] HYDROGEN ADSORPTION AND THE TRANSFORMATION OF THE PT(100) SURFACE-STRUCTURE
    KLOTZER, B
    BECHTOLD, E
    SURFACE SCIENCE, 1993, 295 (03) : 374 - 384
  • [8] STRUCTURE SENSITIVITY OF NO ADSORPTION ON A SMOOTH AND STEPPED PT(100) SURFACE
    BONZEL, HP
    BRODEN, G
    PIRUG, G
    JOURNAL OF CATALYSIS, 1978, 53 (01) : 96 - 105
  • [9] SURFACE RESTRUCTURING DYNAMICS IN CO ADSORPTION, DESORPTION, AND REACTION WITH NO ON PT(100)
    HOPKINSON, A
    KING, DA
    CHEMICAL PHYSICS, 1993, 177 (02) : 433 - 452
  • [10] ADSORBATE-INDUCED STRUCTURE TRANSITIONS AT THE RECONSTRUCTED PT(100) SURFACE
    RADNIK, J
    GITMANS, F
    PENNEMANN, B
    OSTER, K
    WANDELT, K
    SURFACE SCIENCE, 1993, 287 (pt A) : 330 - 335
12345