Computational Design of Battery Materials

Computational Design of Battery Materials

Hanaor, Dorian A. H.

Springer International Publishing AG

07/2024

590

Dura

Inglês

9783031473029

Pré-lançamento - envio 15 a 20 dias após a sua edição

Descrição não disponível.
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.
Machine Learning for Batteries;Cathode Materials Simulation;Density Functional Theory;Ion Intercalation;Transport Properties of Battery Materials;Simulation of Solid-Electrolyte Interfaces;Modeling of Ionic Diffusion;2D Materials for Energy Storage;Modeling of Na-Ion Batteries;Nanoscale Modeling of Batteries;Crystal Structure of Battery Materials