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Gurunatha KL, Marvi S, Arya G, et al. Computationally Guided Assembly of Oriented Nanocubes by Modulating Grafted Polymer-Surface Interactions. Nano Lett. 2015;15(11):7377-82doi: 10.1021/acs.nanolett.5b02748.
Gurunatha, K. L., Marvi, S., Arya, G., & Tao, A. R. (2015). Computationally Guided Assembly of Oriented Nanocubes by Modulating Grafted Polymer-Surface Interactions. Nano letters, 15(11), 7377-82. https://doi.org/10.1021/acs.nanolett.5b02748
Gurunatha, Kargal L, et al. "Computationally Guided Assembly of Oriented Nanocubes by Modulating Grafted Polymer-Surface Interactions." Nano letters vol. 15,11 (2015): 7377-82. doi: https://doi.org/10.1021/acs.nanolett.5b02748
Gurunatha KL, Marvi S, Arya G, Tao AR. Computationally Guided Assembly of Oriented Nanocubes by Modulating Grafted Polymer-Surface Interactions. Nano Lett. 2015 Nov 11;15(11):7377-82. doi: 10.1021/acs.nanolett.5b02748. Epub 2015 Oct 21. PMID: 26457977.
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Nano Lett. 2015 Nov 11;15(11):7377-82. doi: 10.1021/acs.nanolett.5b02748. Epub 2015 Oct 21.

Computationally Guided Assembly of Oriented Nanocubes by Modulating Grafted Polymer-Surface Interactions.

Nano letters

Kargal L Gurunatha, Sarrah Marvi, Gaurav Arya, Andrea R Tao

Affiliations

  1. NanoEngineering Department, University of California, San Diego , 9500 Gilman Drive MC 0448, La Jolla, California 92093-0448, United States.

PMID: 26457977 DOI: 10.1021/acs.nanolett.5b02748

Abstract

The bottom-up fabrication of ordered and oriented colloidal nanoparticle assemblies is critical for engineering functional nanomaterials beyond conventional polymer-particle composites. Here, we probe the influence of polymer surface ligands on the self-orientation of shaped metal nanoparticles for the formation of nanojunctions. We examine how polymer graft-surface interactions dictate Ag nanocube orientation into either edge-edge or face-face nanojunctions. Specifically, we investigate the effect of end-functionalized polymer grafts on nanocube assembly outcomes, such as interparticle angle and interparticle distance. Our assembly results can be directly mapped onto our theoretical phase diagrams for nanocube orientation, enabling correlation of experimental variables (such as graft length and metal binding strength) with computational parameters. These results represent an important step toward unifying modeling and experimental approaches to understanding nanoparticle-polymer self-assembly.

Keywords: Self-assembly; course-grain model; nanocube; nanoparticle; polymer graft; predictive assembly; self-orientation

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