ArticleACS central science2023
Assessing Thermodynamic Selectivity of Solid-State Reactions for the Predictive Synthesis of Inorganic Materials.
Article in ACS central science, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Closed-Loop Solid-State Synthesis Planning for Materials Discovery With Large Language Models.Advanced materials (Deerfield Beach, Fla.) · 2026Article
- AI for Accelerated Materials Discovery: From Generative Design to Autonomous Realization.Chemical reviews · 2026Article
- Ion correlations explain kinetic selectivity in diffusion-limited solid-state synthesis reactions.Nature materials · 2026Article
- Generative Models for Crystalline Materials.Advanced materials (Deerfield Beach, Fla.) · 2026Review
- Dara: Automated Multiple-Hypothesis Phase Identification and Refinement from Powder X‑ray Diffraction.Chemistry of materials : a publication of the American Chemical Society · 2026Article
- Language Models Enable Data-Augmented Synthesis Planning for Inorganic Materials.ACS applied materials & interfaces · 2025Article
- Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model.Scientific data · 2025Article
- Chemical weathering of molecular single crystals to monoliths of quantum dots.Nature communications · 2025Article
- Accelerated data-driven materials science with the Materials Project.Nature materials · 2025Review
- Article
- Discovery of Crystalline Inorganic Solids in the Digital Age.Accounts of chemical research · 2025Article
- Coherent-Precipitation-Stabilized Phase Formation in Over-Stoichiometric Rocksalt-Type Li Superionic Conductors.Advanced materials (Deerfield Beach, Fla.) · 2025Article
- A Cellular Automaton Simulation for Predicting Phase Evolution in Solid-State Reactions.Chemistry of materials : a publication of the American Chemical Society · 2025Article
- Efficient Exploratory Synthesis of Quaternary Cesium Chlorides Guided by In Silico Predictions.Journal of the American Chemical Society · 2024Article
- Quantifying the regime of thermodynamic control for solid-state reactions during ternary metal oxide synthesis.Science advances · 2024Article
Corrections and comments
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Authors and funding
14 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Synthesis is a major challenge in the discovery of new inorganic materials. Currently, there is limited theoretical guidance for identifying optimal solid-state synthesis procedures. We introduce two selectivity metrics, primary and secondary competition, to assess the favorability of target/impurity phase formation in solid-state reactions. We used these metrics to analyze 3520 solid-state reactions in the literature, ranking existing approaches to popular target materials. Additionally, we implemented these metrics in a data-driven synthesis planning workflow and demonstrated its application in the synthesis of barium titanate (BaTiO
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Registered trials
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