Efthimios Kaxiras

Cette personne n’est plus à l’EPFL

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Publications associées (15)

Electron and Hole Dynamics in Dye-Sensitized Solar Cells: Influencing Factors and Systematic Trends

Efthimios Kaxiras, Sheng Meng

We investigate electron and hole dynamics upon photon excitation in dye-sensitized solar cells, using a recently developed method based on real-time evolution of electronic states through time-dependent density functional theory. The systems we considered ...

American Chemical Society (ACS)2010

Optical properties of clusters and molecules from real-time time-dependent density functional theory using a self-consistent field

Efthimios Kaxiras, Sheng Meng, Jun Ren

We present a detailed study of optical absorption spectra of finite-size structures, using a method based on time-dependent density-functional theory (TDDFT), which involves a self-consistent field for the propagation of the Kohn-Sham wavefunctions in real ...

Taylor & Francis2010

Selective adsorption and electronic interaction of F16CuPc on epitaxial graphene

Efthimios Kaxiras, Sheng Meng, Jun Ren, Xi Chen

We investigate the electronic coupling between copper hexadecafluoro-phthalocyanine (F16CuPc) and epitaxial graphene (EG) on 6H-SiC (0001) using a combined approach of low-temperature scanning tunneling spectroscopy and electronic structure calculations. T ...

2010

Topological Frustration in Graphene Nanoflakes: Magnetic Order and Spin Logic Devices

Oleg Yazyev, Efthimios Kaxiras, Sheng Meng

Magnetic order in graphene-related structures can arise from size effects or from topological frustration. We introduce a rigorous classification scheme for the types of finite graphene structures (nanoflakes) which lead to large net spin or to antiferroma ...

2009

Comment on graphene nanoflakes with large spin: Broken-symmetry states