Molecular Packing of Amphiphilic Nanosheets Resolved by X-ray Scattering
| Autor: | Samuel I. Stupp, Michael J. Bedzyk, Sumit Kewalramani, Boris Harutyunyan, Daniel J. Fairfield, Adam J. Dannenhoffer, Taner Aytun |
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| Rok vydání: | 2017 |
| Předmět: |
Diffraction
Materials science Scattering Energy conversion efficiency Aromaticity 02 engineering and technology Crystal structure Chromophore 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Crystallography General Energy Molecular geometry Chemical physics Scattering theory Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry C. 121:1047-1054 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.6b11391 |
| Popis: | Molecular packing in light harvesting 2D assemblies of photocatalytic materials is a critical factor for solar-to-fuel conversion efficiency. However, structure–function correlations have yet to be fully established. This is partly due to the difficulties in extracting the molecular arrangements from the complex 3D powder averaged diffraction patterns of 2D lattices, obtained via in situ wide-angle X-ray scattering. Here, we develop a scattering theory formalism and couple it with a simple geometrical model for the molecular shape of chromophore 9-methoxy-N-(sodium hexanoate)perylene-3,4-dicarboximide (MeO-PMI) used in our study. This generally applicable method fully reproduces the measured diffraction pattern including the asymmetric line shapes for the Bragg reflections and yields the molecular packing arrangement within a 2D crystal structure with a remarkable degree of detail. We find an approximate edge-centered herringbone structure for the PMI fused aromatic rings and ordering of the carboxypentyl... |
| Databáze: | OpenAIRE |
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