@misc{10481/85890,
year = {2023},
month = {10},
url = {https://hdl.handle.net/10481/85890},
abstract = {The production of nanocomposites is often economically and environmentally costly. Silica-witherite
biomorphs, known for producing a wealth of life-like shapes, are nanocomposites entirely formed
through self-organization processes. Behind these precipitates are two precipitation reactions that
catalyze each other. Using a simple computational approach, we show here that this type of chemical
system – defined here as Cross-Catalytic Coprecipitating Systems (CCCSs) – is of great interest to
material design. Provided that cross-catalytic effects are sufficient to overcome the precipitation
thresholds for each phase, all CCCSs can be expected to self-organize into nanocomposite materials
through a one-pot, one-step synthesis protocol. Symmetry-breaking events generating various complex,
ordered textures are predicted in CCCSs involving crystalline phases. While high levels of stochasticity
lead to a loss of ordering, coprecipitation is found to be robust to diffusion or advection in the solution.
This model shows that a couple of chemical reactions can generate a range of complex textures – with
possibly distinct physical/chemical properties. Cross-catalytic coprecipitating systems consequently
represent a promising avenue for producing nanocomposites with complex textures at reduced
economic and environmental costs.},
organization = {Chinese Academy of Sciences Pioneer Hundred
Talents Program},
publisher = {Royal Society of Chemistry},
title = {Computational assessment of the potential of cross-catalytic coprecipitating systems for the bottom-up design of nanocomposites},
doi = {10.1039/d3na00271c},
author = {Rouillard, J. and Maier, Britta and Cölfen, Helmut and García Ruiz, Juan Manuel},
}