中国物理B ›› 1993, Vol. 2 ›› Issue (2): 139-146.doi: 10.1088/1004-423X/2/2/007

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ATOMIC CHARGE SUPERPOSITION CALCULATIONS OF STM IMAGES OF 2D-ORDERED AMINO ACID ADSORBATES(Ⅱ)

李燕芳, 牟建勋, 严隽珏, 杨威生   

  1. Department of Physics, Peking University, Beijing 100871, China
  • 收稿日期:1992-05-05 出版日期:1993-02-20 发布日期:1993-02-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China and the Doctoral Program Foundation of Institute of Higher Education.

ATOMIC CHARGE SUPERPOSITION CALCULATIONS OF STM IMAGES OF 2D-ORDERED AMINO ACID ADSORBATES(Ⅱ)

LI YAN-FANG (李燕芳), MOU JIAN-XUN (牟建勋), YAN JUN-JUE (严隽珏), YANG WEI-SHENG (杨威生)   

  1. Department of Physics, Peking University, Beijing 100871, China
  • Received:1992-05-05 Online:1993-02-20 Published:1993-02-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China and the Doctoral Program Foundation of Institute of Higher Education.

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摘要： In the preceding paper, we have successfully used the atomic charge superposition (ACS) method to calculate STM images of 2D-ordered structures of glycine molecules adsorbed on graphite (HOPG). In this work we focus on alanine/HOPG system. Firstly, we make a thorough searching for all of the possible 2D-ordered aggregation structures that can form linear chains or 2D nets of hydrogen bonds between the molecules and simultaneously satisfy the Van der Waal's radii of the condtituent atoms, just like in the case of 3D crystal of the molecules. Secondly, in order to interpret the experimental images, we use the ACS method to calculate STM images of the possible structures. It turns out that many of the experimental images can be interpreted satisfactorily with their calculated counterparts. This result further exhibits the great potential of using STM to study organic and biological molecules.

Abstract: In the preceding paper[1], we have successfully used the atomic charge superposition (ACS) method to calculate STM images of 2D-ordered structures of glycine molecules adsorbed on graphite (HOPG). In this work we focus on alanine/HOPG system. Firstly, we make a thorough searching for all of the possible 2D-ordered aggregation structures that can form linear chains or 2D nets of hydrogen bonds between the molecules and simultaneously satisfy the Van der Waal's radii of the condtituent atoms, just like in the case of 3D crystal of the molecules. Secondly, in order to interpret the experimental images, we use the ACS method to calculate STM images of the possible structures. It turns out that many of the experimental images can be interpreted satisfactorily with their calculated counterparts. This result further exhibits the great potential of using STM to study organic and biological molecules.

中图分类号:  (Diffusion of adsorbates, kinetics of coarsening and aggregation)

  • 68.43.Jk
87.15.R- (Reactions and kinetics) 82.65.+r (Surface and interface chemistry; heterogeneous catalysis at surfaces) 68.37.Ef (Scanning tunneling microscopy (including chemistry induced with STM))