Jenny Stanford Publishing
Environmental protection and sustainability are major concerns in society, and the development of electrochemical devices, such as batteries, is vital for solving environmental problems. A practical device requires designing materials and operational systems, for which a multidisciplinary subject covering microscopic physics and chemistry as well as macroscopic device properties is lacking. In this situation, multiscale simulations play an important role. This book compiles and details cutting-edge research and development of computational modeling for various electrochemical devices, including hydrogen storage, Li-ion batteries, fuel cells, and artificial photocatalysis. It covers atomistic, nanoscale, microscale, and macroscale computational modeling that highlights fundamental issues to improve electrochemical devices. The authors have been involved in the development of actual energy materials and devices for many years.
1. Computation Materials Design for Hydrogen Storage
2. Atomistic Analysis of Electrolytes: Redox Potentials and Electrochemical Reactions in Lithium-Ion Batteries
3. Electronic Structure Theory of Electrolyte/Electrode Interfaces
R. Jinnouchi et al.
4. Atomistic Modeling of Photoelectric Cells for Artificial Photosynthesis
R. Asahi et al.
5. Large-Scale Simulations I: Methods and Applications for Li-Ion Batteries
N. Ohba et al.
6. Large-Scale Simulations II: Atomistic and Coarse-Grained Simulations of Polyelectrolyte Membranes
S. Yamamoto et al.
7. Phase-Field Models for Microstructural Characterization of Electrode Materials
8. Device Simulation for Li-Ion Batteries
9. Device Simulations for Fuel Cells
T. Suzuki et al.