Thermodynamic limit for synthesis of metastable inorganic materials
Aykol, M., Dwaraknath, S. S., Sun, W., Persson, K. A.
American Association for the Advancement of Science (AAAS)
Published 2018
American Association for the Advancement of Science (AAAS)
Published 2018
| Publication Date: |
2018-04-21
|
|---|---|
| Publisher: |
American Association for the Advancement of Science (AAAS)
|
| Electronic ISSN: |
2375-2548
|
| Topics: |
Natural Sciences in General
|
| Published by: |
| _version_ | 1836398905622790144 |
|---|---|
| autor | Aykol, M., Dwaraknath, S. S., Sun, W., Persson, K. A. |
| beschreibung | Realizing the growing number of possible or hypothesized metastable crystalline materials is extremely challenging. There is no rigorous metric to identify which compounds can or cannot be synthesized. We present a thermodynamic upper limit on the energy scale, above which the laboratory synthesis of a polymorph is highly unlikely. The limit is defined on the basis of the amorphous state, and we validate its utility by effectively classifying more than 700 polymorphs in 41 common inorganic material systems in the Materials Project for synthesizability. The amorphous limit is highly chemistry-dependent and is found to be in complete agreement with our knowledge of existing polymorphs in these 41 systems, whether made by the nature or in a laboratory. Quantifying the limits of metastability for realizable compounds, the approach is expected to find major applications in materials discovery. |
| citation_standardnr | 6242001 |
| datenlieferant | ipn_articles |
| feed_id | 228416 |
| feed_publisher | American Association for the Advancement of Science (AAAS) |
| feed_publisher_url | http://www.aaas.org/ |
| insertion_date | 2018-04-21 |
| journaleissn | 2375-2548 |
| publikationsjahr_anzeige | 2018 |
| publikationsjahr_facette | 2018 |
| publikationsjahr_intervall | 7984:2015-2019 |
| publikationsjahr_sort | 2018 |
| publisher | American Association for the Advancement of Science (AAAS) |
| quelle | Science Advances |
| relation | http://advances.sciencemag.org/cgi/content/short/4/4/eaaq0148?rss=1 |
| search_space | articles |
| shingle_author_1 | Aykol, M., Dwaraknath, S. S., Sun, W., Persson, K. A. |
| shingle_author_2 | Aykol, M., Dwaraknath, S. S., Sun, W., Persson, K. A. |
| shingle_author_3 | Aykol, M., Dwaraknath, S. S., Sun, W., Persson, K. A. |
| shingle_author_4 | Aykol, M., Dwaraknath, S. S., Sun, W., Persson, K. A. |
| shingle_catch_all_1 | Thermodynamic limit for synthesis of metastable inorganic materials Realizing the growing number of possible or hypothesized metastable crystalline materials is extremely challenging. There is no rigorous metric to identify which compounds can or cannot be synthesized. We present a thermodynamic upper limit on the energy scale, above which the laboratory synthesis of a polymorph is highly unlikely. The limit is defined on the basis of the amorphous state, and we validate its utility by effectively classifying more than 700 polymorphs in 41 common inorganic material systems in the Materials Project for synthesizability. The amorphous limit is highly chemistry-dependent and is found to be in complete agreement with our knowledge of existing polymorphs in these 41 systems, whether made by the nature or in a laboratory. Quantifying the limits of metastability for realizable compounds, the approach is expected to find major applications in materials discovery. Aykol, M., Dwaraknath, S. S., Sun, W., Persson, K. A. American Association for the Advancement of Science (AAAS) 2375-2548 23752548 |
| shingle_catch_all_2 | Thermodynamic limit for synthesis of metastable inorganic materials Realizing the growing number of possible or hypothesized metastable crystalline materials is extremely challenging. There is no rigorous metric to identify which compounds can or cannot be synthesized. We present a thermodynamic upper limit on the energy scale, above which the laboratory synthesis of a polymorph is highly unlikely. The limit is defined on the basis of the amorphous state, and we validate its utility by effectively classifying more than 700 polymorphs in 41 common inorganic material systems in the Materials Project for synthesizability. The amorphous limit is highly chemistry-dependent and is found to be in complete agreement with our knowledge of existing polymorphs in these 41 systems, whether made by the nature or in a laboratory. Quantifying the limits of metastability for realizable compounds, the approach is expected to find major applications in materials discovery. Aykol, M., Dwaraknath, S. S., Sun, W., Persson, K. A. American Association for the Advancement of Science (AAAS) 2375-2548 23752548 |
| shingle_catch_all_3 | Thermodynamic limit for synthesis of metastable inorganic materials Realizing the growing number of possible or hypothesized metastable crystalline materials is extremely challenging. There is no rigorous metric to identify which compounds can or cannot be synthesized. We present a thermodynamic upper limit on the energy scale, above which the laboratory synthesis of a polymorph is highly unlikely. The limit is defined on the basis of the amorphous state, and we validate its utility by effectively classifying more than 700 polymorphs in 41 common inorganic material systems in the Materials Project for synthesizability. The amorphous limit is highly chemistry-dependent and is found to be in complete agreement with our knowledge of existing polymorphs in these 41 systems, whether made by the nature or in a laboratory. Quantifying the limits of metastability for realizable compounds, the approach is expected to find major applications in materials discovery. Aykol, M., Dwaraknath, S. S., Sun, W., Persson, K. A. American Association for the Advancement of Science (AAAS) 2375-2548 23752548 |
| shingle_catch_all_4 | Thermodynamic limit for synthesis of metastable inorganic materials Realizing the growing number of possible or hypothesized metastable crystalline materials is extremely challenging. There is no rigorous metric to identify which compounds can or cannot be synthesized. We present a thermodynamic upper limit on the energy scale, above which the laboratory synthesis of a polymorph is highly unlikely. The limit is defined on the basis of the amorphous state, and we validate its utility by effectively classifying more than 700 polymorphs in 41 common inorganic material systems in the Materials Project for synthesizability. The amorphous limit is highly chemistry-dependent and is found to be in complete agreement with our knowledge of existing polymorphs in these 41 systems, whether made by the nature or in a laboratory. Quantifying the limits of metastability for realizable compounds, the approach is expected to find major applications in materials discovery. Aykol, M., Dwaraknath, S. S., Sun, W., Persson, K. A. American Association for the Advancement of Science (AAAS) 2375-2548 23752548 |
| shingle_title_1 | Thermodynamic limit for synthesis of metastable inorganic materials |
| shingle_title_2 | Thermodynamic limit for synthesis of metastable inorganic materials |
| shingle_title_3 | Thermodynamic limit for synthesis of metastable inorganic materials |
| shingle_title_4 | Thermodynamic limit for synthesis of metastable inorganic materials |
| timestamp | 2025-06-30T23:34:30.739Z |
| titel | Thermodynamic limit for synthesis of metastable inorganic materials |
| titel_suche | Thermodynamic limit for synthesis of metastable inorganic materials |
| topic | TA-TD |
| uid | ipn_articles_6242001 |