Polymorphism and metal-induced structural transformation in 5,5'-bis(4-pyridyl)(2,2'-bispyrimidine) adlayers on Au(111)
| Autor: | Diana Hötger, Rico Gutzler, Svetlana Klyatskaya, Mario Ruben, Klaus Kern, Doris Grumelli, Roberto Carlos Salvarezza, Rajadurai Chandrasekar, Benjamin Wurster, Pilar Carro |
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| Rok vydání: | 2018 |
| Předmět: |
Fabrication
Materials science Físico-Química Ciencia de los Polímeros Electroquímica General Physics and Astronomy 02 engineering and technology engineering.material 010402 general chemistry Electrocatalyst 01 natural sciences STM DFT Metal Adsorption X-ray photoelectron spectroscopy XPS Physical and Theoretical Chemistry Ciencias Químicas SELF ASSEMLED 021001 nanoscience & nanotechnology 0104 chemical sciences Crystallography 2D METAL ORGANIC NETWORKS Polymorphism (materials science) visual_art visual_art.visual_art_medium engineering Noble metal Chemical stability 0210 nano-technology CIENCIAS NATURALES Y EXACTAS |
| Zdroj: | Physical chemistry chemical physics : PCCP. 20(23) |
| ISSN: | 1463-9084 |
| Popis: | Metal-organic coordination networks self-assembled on surfaces have emerged as functional low-dimensional architectures with potential applications ranging from the fabrication of functional nanodevices to electrocatalysis. Among them, bis-pyridyl-bispyrimidine (PBP) and Fe-PBP on noble metal surfaces appear as interesting systems to reveal details of molecular self-assembly and the effect of metal incorporation on the organic network arrangement. Here, we report a combined STM, XPS, and DFT study revealing polymorphism for bis-pyridyl-bispyrimidine adsorbed adlayers on the reconstructed Au(111) surface. The polymorphic structures are converted by the addition of Fe adatoms into one unique Fe-PBP surface structure. DFT calculations show that while all PBP phases exhibit similar thermodynamic stability, metal incorporation selects the PBP structure which maximizes the number of Fe-N close contacts. Charge transfer from the Fe adatom to the Au substrate and N-Fe interactions stabilize the Fe-PBP adlayer. The increased thermodynamic stability of the metal-stabilized structure leads to its sole expression on the surface. Fil: Hötger, Diana. Max Planck Institute for Solid State Research; Alemania Fil: Carro, Pilar. Universidad de La Laguna; España Fil: Gutzler, Rico. Max Planck Institute For Solid State Research; Alemania Fil: Wurster, Benjamin. Max Planck Institute For Solid State Research; Alemania Fil: Chandrasekar, Rajadurai. Karlsruher Institut fur Technologie; Alemania Fil: Klyatskaya, Svetlana. Karlsruher Institut fur Technologie; Alemania Fil: Ruben, Mario. Karlsruher Institut fur Technologie; Alemania. Université de Strasbourg; Francia Fil: Salvarezza, Roberto Carlos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina Fil: Kern, Klaus. Max Planck Institute For Solid State Research; Alemania. École Polytechnique Fédérale de Lausanne; Suiza Fil: Grumelli, Doris Elda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina |
| Databáze: | OpenAIRE |
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