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Book Synopsis
Battery materials: Bringing it all together for tomorrow's energy storage needs.- Atomistic Simulations of Battery Materials and Processes.- Ab Initio Interfacial Electrochemistry Applied to Understanding, Tuning and Designing Battery Chemistry.- Electrolyte-Electrode Interfaces: A Review of Computer Simulations.- Many-particle Na-ion dynamics in NaMPO4 olivine phosphates (M=Mn, Fe).- Crystal Structure Prediction for Battery Materials.- Nanoscale Modelling of Substitutional Disorder in Battery Materials.- Machine learning methods for the design of battery manufacturing processes.- Machine learning methods for the design of battery manufacturing processes.- Applications of Ab Initio Molecular Dynamics for Modeling Batteries.- Forming a Chemically-Guided Basis for Cathode Materials with Reduced Biological Impact using Combined Density Functional Theory and Thermodynamics Modeling.- Oxygen Redox in Battery Cathodes: A Brief Overview.- Theoretical Investigatio

Computational Design of Battery Materials

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    A Hardback by Dorian A. H. Hanaor

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      Book details

      Publisher Springer
      Published 7 May 2024
      ISBN-13 9783031473029
      978-3031473029
      ISBN-10 3031473027
      Also in:
      Materials science

      Description

      Book Synopsis
      Battery materials: Bringing it all together for tomorrow's energy storage needs.- Atomistic Simulations of Battery Materials and Processes.- Ab Initio Interfacial Electrochemistry Applied to Understanding, Tuning and Designing Battery Chemistry.- Electrolyte-Electrode Interfaces: A Review of Computer Simulations.- Many-particle Na-ion dynamics in NaMPO4 olivine phosphates (M=Mn, Fe).- Crystal Structure Prediction for Battery Materials.- Nanoscale Modelling of Substitutional Disorder in Battery Materials.- Machine learning methods for the design of battery manufacturing processes.- Machine learning methods for the design of battery manufacturing processes.- Applications of Ab Initio Molecular Dynamics for Modeling Batteries.- Forming a Chemically-Guided Basis for Cathode Materials with Reduced Biological Impact using Combined Density Functional Theory and Thermodynamics Modeling.- Oxygen Redox in Battery Cathodes: A Brief Overview.- Theoretical Investigatio

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