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- W4360103734 abstract "Synthesis remains a challenge for advancing materials science. A key focus of this challenge is how to enable selective synthesis, particularly as it pertains to metastable materials. This perspective addresses the question: how can ``spectator'' elements, such as those found in double ion exchange (metathesis) reactions, enable selective materials synthesis? By observing reaction pathways as they happen (emph{in situ}) and calculating their energetics using modern computational thermodynamics, we observe transient, crystalline intermediates that suggest that many reactions attain a local thermodynamic equilibrium dictated by local chemical potentials far before achieving a global equilibrium set by the average composition. Using this knowledge, one can thermodynamically ``shortcut'' unfavorable intermediates by including additional elements beyond those of the desired target, providing access to a greater number of intermediates with advantageous energetics and selective phase nucleation. Ultimately, data-driven modeling that unites first-principles approaches with experimental insights will refine the accuracy of emerging predictive retrosynthetic models for complex materials synthesis." @default.
- W4360103734 created "2023-03-23" @default.
- W4360103734 creator A5037535334 @default.
- W4360103734 creator A5075472739 @default.
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- W4360103734 date "2023-03-21" @default.
- W4360103734 modified "2023-09-27" @default.
- W4360103734 title "Modernist Materials Synthesis: Finding Thermodynamic Shortcuts with Hyperdimensional Chemistry" @default.
- W4360103734 doi "https://doi.org/10.48550/arxiv.2303.11915" @default.
- W4360103734 hasPublicationYear "2023" @default.
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