Related papers: Mapping the Diffusion Tensor in Microstructured Pe…
Accelerating the experimental cycle for new materials development is vital for addressing the grand energy challenges of the 21st century. We fabricate and characterize 75 unique halide perovskite-inspired solution-based thin-film materials…
Accurate determination of carrier transport properties in two-dimensional (2D) materials is critical for designing high-performance nano-electronic devices and quantum information platforms. While first-principles calculations effectively…
Characterising charge transport in a material is central to the understanding of its electrical properties, and can usually only be inferred from bulk measurements of derived quantities such as current flow. Establishing connections between…
We consider a nonlinear drift-diffusion system for multiple charged species in a porous medium in 2D and 3D with periodic microstructure. The system consists of a transport equation for the concentration of the species and Poisson's…
We study the long-time self-diffusion of a single conjugated organic para-sexiphenyl (p-6P) molecule physisorbed on the inorganic ZnO $\left(10\overline{1}0\right)$ surface by means of all-atom molecular dynamics computer simulations. We…
This paper discusses free carrier generation by pulsed laser fields as a mechanism to switch the optical properties of semiconductor photonic crystals and bulk semiconductors on an ultrafast time scale. Requirements are set for the…
Singlet fission process has gained considerable attention because of its potential to enhance photovoltaic efficiency and break the Shockley Queisser limit. In photovoltaic devices perovskite materials have shown tremendous progress in the…
Vacancy-mediated diffusion in multi-principal element alloys (MPEAs) remains poorly understood. Existing computational methods face challenges in connecting electronic structure to macroscopic transport coefficients due to the large number…
Semiconductor nanocrystals could replace conventional bulk materials completely in displays and light-emitting diodes. Exciton transport dominates over charge carrier transport for materials with high exciton binding energies and long…
The knowledge of the carrier dynamics in nanostructures is of fundamental importance for the development of (opto)electronic devices. This is true for semiconducting nanostructures as well as for plasmonic nanoparticles (NPs). Indeed,…
Organolead trihalide perovskites have drawn substantial interest for applications in photovoltaic and optoelectronic devices due to their low processing cost and remarkable physical properties. However, perovskite thin films still suffer…
We present the state-of-the-art theoretical modeling, molecular simulation, and coarse-graining strategies for the transport of gases and liquids in nanoporous materials (pore size 1-100 nm). Special emphasis is placed on the transport of…
We report photocarrier time-of-flight measurements in diode structures made of highly porous crystalline silicon. The corresponding electron and hole drift mobilities are very small compared to homogeneous crystalline silicon. They show two…
High-entropy perovskite thin films, as the prototypical representative of the high-entropy oxides with novel electrical and magnetic features, have recently attracted great attention. Here, we reported the electronic structure and charge…
Light transport in strongly scattering porous photocatalytic materials governs the spatial distribution of absorbed photons and therefore the generation of charge carriers driving photocatalytic reactions. Yet translating measured optical…
We present a stochastic approach for charge transport in transistors. In this approach, the electron and hole densities are governed by diffusion-reaction stochastic differential equations satisfying local detailed balance and the electric…
Perovskite photovoltaics has witnessed an unprecedented increase in power conversion efficiency over the last decade. The choice of transport layers, through which photo-generated electrons and holes are transported to the electrodes, is a…
We present the results of a numerical investigation of charged-particle transport across a synthesized magnetic configuration composed of a constant homogeneous background field and a multiscale perturbation component simulating an effect…
The unprecedented rise in power conversion efficiency of solar cells based on metal halide perovskites (MHPs) has led to enormous research effort to understand their photo-physical properties. In this paper, we review the progress in…
Accurate modeling of charge transport and both thermal and luminescent radiation is crucial to the understanding and design of radiative thermal energy converters. Charge carrier dynamics in semiconductors are well-described by the…