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Thermally Activated Transformation of the Adsorption Configurations of a Complex Molecule on a Cu(111) Surface
Catalysis Today (2011)
  • X.Q. Shi, Department of Physics and Materials Science, City University of Hong Kong, Hong Kong, China
  • W.H. Wang, Department of Physics, The Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong, China
  • S.Y. Wang, Department of Physics, The Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong, China
  • N. Lin, Department of Physics, The Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong, China
  • M.A. Van Hove, Department of Physics and Materials Science, City University of Hong Kong, Hong Kong, China
Abstract
Temperature-dependent transformations of the adsorption configuration of a molecule containing 2,2':6',2"-terpyridine (terpy) end-groups on a flat Cu(111) surface are studied by a combination of scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations. Several quite different adsorption configurations are detected for the terpy end-group, including flat physisorption, distorted chemisorption through N-Cu bonds, and H-dissociative chemisorption through N-Cu and C-Cu bonds. These illustrate and explore various bonding modes of molecules at surfaces, which also implies a greater richness of reaction pathways, both of which are of central importance in a wide variety of heterogeneous catalytic processes on metal catalysts. As deposited on the cold substrate (near 77 K), the molecules are preferably chemisorbed on the surface through N-Cu bonds. With increasing annealing temperature, the molecules are converted to a physisorption configuration at and above 300 K, and above 370 K a small fraction of molecules undergoes dehydrogenation and chemisorb on the surface through N-Cu and C-Cu bonds. The present study demonstrates that the combination of STM measurements and DFT calculations is very effective for probing the atomic details of molecular adsorption configurations on surfaces.
Keywords
  • Surfaces,
  • Interfaces,
  • Catalysis,
  • STM,
  • DFT
Disciplines
Publication Date
2011
DOI
10.1016/j.cattod.2011.03.072
Citation Information
X.Q. Shi, W.H. Wang, S.Y. Wang, N. Lin, et al.. "Thermally Activated Transformation of the Adsorption Configurations of a Complex Molecule on a Cu(111) Surface" Catalysis Today Vol. 177 Iss. 1 (2011) p. 50 - 54 ISSN: 09205861
Available at: http://works.bepress.com/mavanhove/101/