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Kinetics-controlled design principles for two-dimensional open lattices using atom-mimicking patchy particles

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Abstract

The design and discovery of new two-dimensional materials with desired structures and properties are always one of the most fundamental goals in materials science. Here we present an atom-mimicking design concept to achieve direct self-assembly of two-dimensional low-coordinated open lattices using three-dimensional patchy particle systems. Besides honeycomb lattices, a new type of two-dimensional square-octagon lattice is obtained through rational design of the patch configuration of soft three-patch particles. However, unexpectedly the building blocks with thermodynamically favoured patch configuration cannot form square-octagon lattices in our simulations. We further reveal the kinetic mechanisms controlling the formation of the honeycomb and square-octagon lattices. The results indicate that the kinetically favoured intermediates play a critical role in determining the structure of obtained open lattices. This kinetics-controlled design principle provides a particularly effective and extendable framework to construct other novel open lattice structures.

Graphical abstract: Kinetics-controlled design principles for two-dimensional open lattices using atom-mimicking patchy particles

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Article information


Submitted
12 Nov 2019
Accepted
03 Feb 2020
First published
04 Feb 2020

Nanoscale, 2020, Advance Article
Article type
Paper

Kinetics-controlled design principles for two-dimensional open lattices using atom-mimicking patchy particles

Z. Li, Y. Sun, Y. Wang, Y. Zhu, Z. Lu and Z. Sun, Nanoscale, 2020, Advance Article , DOI: 10.1039/C9NR09656F

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