Laker, Zachary P. L., Marsden, Alexander J., De Luca, Oreste, Della Pia, Ada, Alves Perdigão, Luis M., Costantini, Giovanni and Wilson, Neil R. (2017) Data for Monolayer-to-thin-film transition in supramolecular assemblies: the role of topological protection. [Dataset]

	Microsoft Word (Readme file) data readme.docx Available under License Creative Commons: Attribution-Share Alike 4.0. Download (16Kb)
	Archive (ZIP) (Data organised into folders corresponding to figures 1, 2, 3, 4, 5) Supporting Data.zip Available under License Creative Commons Attribution 4.0. Download (66Mb)

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Abstract

The ability to control the transition from a two-dimensional (2D) monolayer to the three-dimensional (3D) molecular structure in the growth of organic layers on surfaces is essential for the production of functional thin films and devices. This has, however, proved to be extremely challenging, starting from the currently limited ability to attain a molecular scale characterization of this transition. Here, through innovative application of low-dose electron diffraction and aberration-corrected transmission electron microscopy (acTEM), combined with scanning tunneling microscopy (STM), we reveal the structural changes occurring as film thickness is increased from monolayer to tens of nanometers for supramolecular assembly of two prototypical benzenecarboxylic acids – terephthalic acid (TPA) and trimesic acid (TMA) – on graphene. The intermolecular hydrogen bonding in these molecules is similar and both form well-ordered monolayers on graphene, but their structural transitions with film thickness are very different. While the structure of TPA thin films varies continuously towards the 3D lattice, TMA retains its planar monolayer structure up to a critical thickness, after which a transition to a polycrystalline film occurs. These distinctive structural evolutions can be rationalized in terms of the topological differences in the 3D crystallography of the two molecules. The templated 2D structure of TPA can smoothly map to its 3D structure through continuous molecular tilting within the unit cell, whilst the 3D structure of TMA is topologically distinct from its 2D form, so that only an abrupt transition is possible. The concept of topological protection of the 2D structure gives a new tool for the molecular design of nanostructured films.

Item Type:	Dataset
Subjects:	Q Science > QD Chemistry T Technology > TA Engineering (General). Civil engineering (General)
Divisions:	Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Physics
Type of Data:	Plain text format (.txt), .docx, .dm3, .tiff and .png image files. Fig 1 files require specialist scanning probe microscopy (SPM) programs to open images, e.g. Gwyddion or WSxM.
Library of Congress Subject Headings (LCSH):	Thin films, Graphene, Monomolecular films
Publisher:	University of Warwick, Department of Physics
Official Date:	3 August 2017
Dates:	Date Event 3 August 2017 Published 2 August 2017 Submitted
Status:	Not Peer Reviewed
Description:	These folders include the data used in the images in the main paper. Further data can be obtained on request from the authors. The data are organised into folders corresponding to each figure, as listed below: Figure 1: • TMA STM image (panel a): tma_graphene.093 • TPA STM image (panel d): tpa_graphene.116 Figure 2: • Diffraction Intensity modulation graph (panel g): Delta_I_Modulation.txt, Delta_I_Modulation_Error.txt, Film_Thickness.txt, Film_Thickness_Error.txt • Diffraction Intensity Profile graph (panel f): Profile_TMA_15s.txt, Profile_TMA_1min.txt, Profile_TMA_6min.txt, Profile_TMA_18min.txt, Relative_Angle.txt • Film Thickness graph (panel e): Deposition_Time.txt, Film_Thickness.txt, Film_Thickness_Error.txt • TEM diffraction patterns (panels a1,b1,c1,d1): TMA_15s_diffraction_pattern.dm3, TMA_1min_diffraction_pattern.dm3, TMA_6min_diffraction_pattern.dm3, TMA_18min_diffraction_pattern.dm3 • TEM low mag images (panels a2,b2,c2,d2): TMA_15s_low_mag_image.dm3, TMA_1min_low_mag_image.dm3, TMA_6min_low_mag_image.dm3, TMA_18min_low_mag_image.dm3 Figure 3: • TMA HRTEM image (panel a): TMA_15s_HRTEM.dm3 Figure 4: • TMA simulation image (panel a): Image_simulation.tiff • TPA reconstruction image (panel b): Reconstruction_Image.png Figure 5: • Diffraction Intensity modulation graph (panel g): Delta_I_Modulation.txt, Delta_I_Modulation_Error.txt, Film_Thickness.txt, Film_Thickness_Error.txt • Diffraction Intensity Profile graph (panel f): Profile_TPA_15s.txt, Profile_TPA_1min.txt, Profile_TPA_6min.txt, Profile_TPA_18min.txt, Relative_Angle.txt • Film Thickness graph (panel e): Deposition_Time.txt, Film_Thickness.txt, Film_Thickness_Error.txt • TEM diffraction patterns (panels a1,b1,c1,d1): TPA_15s_diffraction_pattern.dm3, TPA_1min_diffraction_pattern.dm3, TPA_6min_diffraction_pattern.dm3, TPA_18min_diffraction_pattern.dm3 • TEM low mag images (panels a2,b2,c2,d2): TPA_15s_low_mag_image.dm3, TPA_1min_low_mag_image.dm3, TPA_6min_low_mag_image.dm3, TPA_18min_low_mag_image.dm3
RIOXX Funder/Project Grant:	Project/Grant ID RIOXX Funder Name Funder ID EP/K503204/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 EP/M506679/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 UNSPECIFIED University of Warwick http://dx.doi.org/10.13039/501100000741 VISUAL-MS H2020 European Research Council http://dx.doi.org/10.13039/100010663 IE150208 Royal Society http://dx.doi.org/10.13039/501100000288
Related URLs:	Related item in WRAP
Contributors:	Contribution Name Contributor ID Depositor Laker, Zachary P. L. UNSPECIFIED

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