Sökning: "Weiwei Sun"
Hittade 2 avhandlingar innehållade orden Weiwei Sun.
1. Ab initio study of transition metal carbides and actinide compounds
Sammanfattning : Two classes of materials are investigated using ab intio methods based on density functional theory. The structural properties, electronic structure and thermodynamic properties of binary and ternary transition metal carbides are discussed in details. In addition, two actinide compounds will be presented. LÄS MER
2. Heavy Metal Compounds and Hydrogen Storage Materials from Ab Initio Calculations
Sammanfattning : In principle, most of the properties of solids can be determined by their electronic structures. So the understanding of electronic structures is essential. This thesis presents two classes of materials using ab initio method based on density functional theory. LÄS MER