Sökning: "Qigui Yang"

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  1. 1. Theoretical study of Gd2O3-CeO2 (111) interface

    Master-uppsats, KTH/Materialvetenskap

    Författare :Qigui Yang; [2018]
    Nyckelord :Density functional theory; Gd doped ceria; Cluster expansion; Solid oxide fuel cells;

    Sammanfattning : Atomistic modelling has widely been applied for studying structures and properties of materials. There are various methods to perform atomistic modelling. This master thesis presents a combined density functional theory (DFT) and cluster expansion (CE) study of Gd2O3 and Gd2O3-CeO2 interface (GCI) relevant for solid oxide fuel cells (SOFCs). LÄS MER