The development of strategies for nanoparticle synthesis: Considerations for deepening understanding of inherently complex systems

Miller, Rebecca C.; Moloney, Lily June; Prieto, Amy L.

doi:10.1016/j.jssc.2018.12.053

Cited by 14 publications

(13 citation statements)

References 138 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Understanding the origins of this narrowness continues to be an important driver of past research, as it would enable many applications of nanoparticles if their sizes could be predicted and controlled. 14,15,67,73 2.5 | How reliable are these data?…”

Section: Experimentally Determined Nanoparticle Size Distributionsmentioning

confidence: 99%

Estimating reaction parameters in mechanism‐enabled population balance models of nanoparticle size distributions: A Bayesian inverse problem approach

et al. 2021

View full text Add to dashboard Cite

In order to quantitatively predict nano-as well as other particle-size distributions, one needs to have both a mathematical model and estimates of the parameters that appear in these models. Here, we show how one can use Bayesian inversion to obtain statistical estimates for the parameters that appear in recently derived mechanism-enabled population balance models (ME-PBM) of nanoparticle growth.The Bayesian approach addresses the question of "how well do we know our parameters, along with their uncertainties?." The results reveal that Bayesian inversion statistical analysis on an example, prototype Ir 0 ð Þ n nanoparticle formation system allows one to estimate not just the most likely rate constants and other parameter values, but also their SDs, confidence intervals, and other statistical information. Moreover, knowing the reliability of the mechanistic model's parameters in turn helps inform one about the reliability of the proposed mechanism, as well as the reliability of its predictions. The paper can also be seen as a tutorial with the additional goal of achieving a "Gold Standard" Bayesian inversion ME-PBM benchmark that others can use as a control to check their own use of this methodology for other systems of interest throughout nature. Overall, the results provide strong support for the hypothesis that there is substantial value in using a Bayesian inversion methodology for parameter estimation in particle formation systems.

show abstract

Section: Experimentally Determined Nanoparticle Size Distributionsmentioning

confidence: 99%

Estimating reaction parameters in mechanism‐enabled population balance models of nanoparticle size distributions: A Bayesian inverse problem approach

et al. 2021

View full text Add to dashboard Cite

show abstract

“…Nanoparticle syntheses aim for synthetic control of both thermodynamic and kinetic phases exhibiting interesting physical properties . To enable access to a wide phase space, control over the synthesis of increasingly complex NPs is required because changes in composition, stoichiometry, and morphology impact optoelectronic properties.…”

Section: Figurementioning

confidence: 99%

“…Considering the hard‐soft acid‐base (HSAB) principle, we anticipated that balancing precursor reactivity would pose a significant challenge. In the case of Cu 3 PSe 4 , the +5 oxidation state of P makes it a considerably hard acid in relation to the softer Cu + and Se 2− species.…”

Section: Figurementioning

confidence: 99%

“…Nanoparticle syntheses aim for synthetic control of both thermodynamic and kinetic phases exhibiting interesting physical properties. [2,[11][12][13] To enable access to aw ide phase space,control over the synthesis of increasingly complex NPs is required because changes in composition, stoichiometry, and morphology impact optoelectronic properties.While the accessible complexity of NPs is increasing,asignificant challenge in the field is the design of new reactions to produce high quality NPs,e specially when the roles of the reactants are not well understood. Thed evelopment of controlled synthetic strategies for compositionally complex NPs,i np articular those that combine transition metals and light main-group elements,r emains as ignificant challenge because of the diversity of interactions between different species.F urthermore,t he chemical potentials of the precursors must be balanced to prevent the formation of species more thermodynamically favorable than the target compound.…”

mentioning

confidence: 99%

“…Considering the hard-soft acid-base (HSAB) principle, [13] we anticipated that balancing precursor reactivity would pose as ignificant challenge.I nt he case of Cu 3 PSe 4 ,t he + 5 oxidation state of Pm akes it ac onsiderably hard acid in relation to the softer Cu + and Se 2À species.T hus,t he incorporation of the main group element could be apotential bottleneck because Cu + and Se 2À are ac ompatible HSAB pair. Phosphorus bonds were installed directly by synthesizing P-containing binaries before the introduction of the third element.…”

mentioning

confidence: 99%

See 2 more Smart Citations

A Directed Route to Colloidal Nanoparticle Synthesis of the Copper Selenophosphate Cu₃PSe₄

Kraynak

Prieto

2020

Angew Chem Int Ed

Self Cite

View full text Add to dashboard Cite

The first colloidal nanoparticle synthesis of the copper selenophosphate Cu3PSe4, a promising new material for photovoltaics, is reported. Because the formation of binary copper selenide impurities seemed to form more readily, two approaches were developed to install phosphorus bonds directly: 1) the synthesis of molecular P4Se3 and subsequent reaction with a copper precursor, (P‐Se)+Cu, and 2) the synthesis of copper phosphide, Cu3P, nanoparticles and subsequent reaction with a selenium precursor, (Cu‐P)+Se. The isolation and purification of Cu3P nanoparticles and subsequent selenization yielded phase‐pure Cu3PSe4. Solvent effects and Se precursor reactivities were elucidated and were key to understanding the final reaction conditions.

show abstract

A Directed Route to Colloidal Nanoparticle Synthesis of the Copper Selenophosphate Cu₃PSe₄

Kraynak

Prieto

2020

Angewandte Chemie

Self Cite

View full text Add to dashboard Cite

show abstract

The development of strategies for nanoparticle synthesis: Considerations for deepening understanding of inherently complex systems

Cited by 14 publications

References 138 publications

Estimating reaction parameters in mechanism‐enabled population balance models of nanoparticle size distributions: A Bayesian inverse problem approach

Estimating reaction parameters in mechanism‐enabled population balance models of nanoparticle size distributions: A Bayesian inverse problem approach

A Directed Route to Colloidal Nanoparticle Synthesis of the Copper Selenophosphate Cu₃PSe₄

A Directed Route to Colloidal Nanoparticle Synthesis of the Copper Selenophosphate Cu₃PSe₄

Contact Info

Product

Resources

About

The development of strategies for nanoparticle synthesis: Considerations for deepening understanding of inherently complex systems

Cited by 14 publications

References 138 publications

Estimating reaction parameters in mechanism‐enabled population balance models of nanoparticle size distributions: A Bayesian inverse problem approach

Estimating reaction parameters in mechanism‐enabled population balance models of nanoparticle size distributions: A Bayesian inverse problem approach

A Directed Route to Colloidal Nanoparticle Synthesis of the Copper Selenophosphate Cu3PSe4

A Directed Route to Colloidal Nanoparticle Synthesis of the Copper Selenophosphate Cu3PSe4

Contact Info

Product

Resources

About

A Directed Route to Colloidal Nanoparticle Synthesis of the Copper Selenophosphate Cu₃PSe₄

A Directed Route to Colloidal Nanoparticle Synthesis of the Copper Selenophosphate Cu₃PSe₄