Polaron hopping through piecewise-linear functionals

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We report on an element-selective study of the fate of charge carriers in photoexcited inorganic CsPbBr3 and CsPb(ClBr)(3) perovskite nanocrystals in toluene solutions using time-resolved X-ray absorption spectroscopy with 80 ps time resolution. Probing th ...

To model polaronic behavior in strongly correlated transition-metal oxideswith ab initio methods, one typically requires a level of theory beyond that of local density or general gradient density functional theory (DFT) approximations to account for the st ...

Solution-processable semiconducting polymers have been explored over the last decades for their potential applications in inexpensively fabricated transistors, diodes and photovoltaic cells. However, a remaining challenge in the field is to control the sol ...

We investigate the polaronic ground state of anatase TiO2 by bulk-sensitive resonant inelastic x-ray spectroscopy (RIXS) at the Ti L-3 edge. We find that the formation of the polaron cloud involves a single 95 meV phonon along the c axis, in addition to th ...

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We present a comparative study of the optical properties-reflectance, transmission, and optical conductivity- and Raman spectra of two layered bismuth-tellurohalides BiTeBr and BiTeCl at 300 and 5 K, for light polarized in the a-b planes. Despite different ...

Polaron hopping through piecewise-linear functionals

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Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy

Implications of the DFT plus U method on polaron properties in energy materials

Molecular Strategies for Morphology Control in Semiconducting Polymers for Optoelectronics

Electron-Phonon Coupling in the Bulk of Anatase TiO2 Measured by Resonant Inelastic X-Ray Spectroscopy

Ultrafast spectroscopy of wide bandgap semiconductor nanostructures

Conductivity in organic semiconductors hybridized with the vacuum field

Dissociation of charge transfer states and carriers separation in bilayer organic solar cells - A time-resolved electroabsorption spectroscopy study

Spin processes and charge dynamics in organic light emitting diodes

Optical properties of BiTeBr and BiTeCl