Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer

Journal of Power Sources

Volumn 275, Issue , 2015, Pages 531-538

  Hörmann, Nicolas G ^a,b   Jäckle, Markus ^a,b   Gossenberger, Florian ^b   Roman, Tanglaw ^b   Forster Tonigold, Katrin ^a   Naderian, Maryam ^b   Sakong, Sung ^b   Groß, Axel ^a,b  

^a HELMHOLTZ INSTITUTE ULM HIU   (Germany)

^b UNIVERSITY OF ULM   (Germany)

Author keywords

Batteries; Charging discharging; Computer simulations; Dendrite growth; Density functional calculations; Electrode electrolyte interfaces

Indexed keywords

COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; ELECTRODES; ELECTROLYTES; ELECTRONIC STRUCTURE; ENERGY CONVERSION; SOLAR CELLS;

CHARGING/DISCHARGING; DENDRITE GROWTH; ELECTROCHEMICAL ENERGY CONVERSIONS; ELECTROCHEMICAL ENERGY STORAGE; ELECTROCHEMICAL SYSTEMS; ELECTRODE-ELECTROLYTE INTERFACES; FIRST PRINCIPLES ELECTRONIC STRUCTURE; FIRST PRINCIPLES MODELS;

CALCULATIONS;

EID: 84911867143     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpowsour.2014.10.198     Document Type: Article

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