صورة الغلاف

Computational Design of Battery Materials

This book presents an essential survey of the state of the art in the application of diverse computational methods to the interpretation, prediction, and design of high-performance battery materials. Rechargeable batteries have become one of the most important technologies supporting the global tran...

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محفوظ في:
التفاصيل البيبلوغرافية
مؤلف مشترك: SpringerLink (Online service)
مؤلفون آخرون: Hanaor, Dorian A. H. (المحرر)
التنسيق: الكتروني كتاب الكتروني
اللغة:الإنجليزية
منشور في: Cham : Springer International Publishing : Imprint: Springer, 2024.
الطبعة:1st ed. 2024.
سلاسل:Topics in Applied Physics, 150
الموضوعات:
Materials.
Catalysis.
Force and energy.
Materials science > Data processing.
Electric batteries.
Machine learning.
Condensed matter.
Chemistry, Physical and theoretical.
Materials for Energy and Catalysis.
Computational Materials Science.
Batteries.
Machine Learning.
Two-dimensional Materials.
Theoretical Chemistry.
الوصول للمادة أونلاين:https://doi.org/10.1007/978-3-031-47303-6
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جدول المحتويات:
  • 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 Investigation of Layered Anode Materials
  • Design of Improved Cathode Materials by Intermixing Transition Metals in Sodium-Iron Sulphate and Sodium Manganate for Sodium-Ion Batteries
  • Sodium Intercalation into Graphite and Graphene Complexes towards Advanced Sodium-Ion Battery Anode Materials
  • Combining molecular simulations with modern experiments to design ionic liquid-based battery electrolytes
  • Design of battery materials via defects and doping
  • Role of Adsorption Energy in the Design of Battery Materials: A DFT Perspective.

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