Abstract
The structure of materials determines their properties. Visualizing molecular or nanoscale structures is crucial to understand this relationship. Carbon nanomaterials are a particularly good example. Single walled carbon nanotubes (SWCNTs) have different structures (chiralities), which translate into distinct optical colors and fluorescence properties. Nevertheless, it is difficult to comprehend why materials made only from carbon atoms have these different properties. Haptic materials can play a significant role in engaging newcomers, for public outreach as well as visualizing and explaining basic concepts of chemistry and physics for more advanced scientists. This article provides a beginner friendly workflow to create 3D models of SWCNTs, graphene (nanoribbons/nanosheets) or modifications from scratch.
All used programs for chemical modeling are free to use, and no prior experience is required to follow the instructions. Exemplarily, a model of a single walled carbon nanotube (SWCNT) is created in Avogadro. This file is then imported into Blender to customize the layout. In a next step the generated files are processed (sliced) to translate it into the language of a 3D printer. This article provides a tutorial to 3D print SWCNTs and related materials, introduces the computational tools that are necessary and discusses teaching examples.
Supplementary materials
Title
Detailed workfow
Description
Detailed workfow to create models of carbon nanotubes and related nanomaterials with screenshots of each single step across all used softwares.
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Timelaps video
Description
Timelaps video of the printing process from a nanotuue by a 3d printer
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exemplary files for 3d printing of nantubes
Description
Exemplary files of (6,5)-SWCNTs, including pristine, sp3-defect, and guanine-defect structures, as well as a nanosheet.
Each molecule comes with the exported file types after every step (*.pdb, *.stl, *.gcode) and a Blender file (*.blend). Additionally, a comprehensive slicing file (*.3mf) containing all objects.
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