Sökning: "Jochen Rohrer"

Hittade 2 avhandlingar innehållade orden Jochen Rohrer.

1. 1. Formation stability and electronic structure of surfaces and interfaces from first principles

   Författare :Jochen Rohrer; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; band structure; van der Waals interaction; electronic structure; graphane; graphene; atomic structure; growth; thin film; interface; density functional theory; CVD; Alumina; nucleation;

   Sammanfattning : This thesis deals with two closely interwoven aspects of first-principle(density functional theory) materials modeling:(1)~prediction of atomic structure & chemical composition,and (2)~prediction of electronic properties.In the first part, we focus on atomic structure (AS) and chemical composition (CC) of surface and interface systems. LÄS MER

3. 2. Structure of thin-film oxides: an ab initio study of TiC/Alumina

   Författare :Jochen Rohrer; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Interface Atomic Structure; Growth; Alumina; Electronic Structure; DFT; Thin Film;

   Sammanfattning : Oxides and oxide films play a major role in present-daytechnologies. Identification and analysis of their atomic andelectronic structure are important to develop new functionalmaterials. LÄS MER