Sökning: "Yunqi Shao"

Hittade 1 avhandling innehållade orden Yunqi Shao.

  1. 1. Simulating ion transport in electrolyte materials with physics-based and machine-learning models

    Författare :Yunqi Shao; Chao Zhang; Peter Broqvist; Carl Nettelblad; Barbara Kirchner; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; electrolytes; ionic conductivity; ion transport; molecular dynamics; machine learning potential; proton transfer; Chemistry with specialization in Inorganic Chemistry; Kemi med inriktning mot oorganisk kemi;

    Sammanfattning : Electrolytes are indispensable components of electrochemical devices such as batteries, fuel cells, and supercapacitors, and the mass transport in electrolytes is one of the most important design focuses of such devices. A microscopic picture of ion transport is essential to link the chemical properties of electrolyte materials to their electrochemical applications. LÄS MER