Monte Carlo- and Simulated-Annealing-Based Funneled Approach for the Prediction of Cation Ordering in Mixed Transition-Metal Oxide Materials
| Autor: | Arup Lal Chakraborty, Sooraj Kunnikuruvan, Dan Thomas Major |
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| Rok vydání: | 2020 |
| Předmět: |
Materials science
Monte Carlo method Oxide 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Electrochemistry 01 natural sciences Cathode 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials law.invention chemistry.chemical_compound General Energy Transition metal chemistry Hardware_GENERAL Chemical physics law Simulated annealing ComputerSystemsOrganization_SPECIAL-PURPOSEANDAPPLICATION-BASEDSYSTEMS Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry C. 124:27366-27377 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | The development of cathode materials with good electrochemical performance is vital to the effort to design rechargeable batteries for applications such as electric mobility. Li-intercalated mixed ... |
| Databáze: | OpenAIRE |
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