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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
1993 (2):
139-146.
doi: 10.1088/1004-423X/2/2/007
摘要
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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.
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