Free Charge Generation in Organic Photoconversion Devices–the Impact of Electrostatic Potentials
Advanced Energy Materials, EarlyView.Free charge generation in organic photovoltaic and photodetector devices typically requires an external driving force to separate bound excitons formed upon photoexcitation. This review details how electrostatic potentials, arising from molecular charge distributions in organic semiconductors, can impact interfacial energetic landscapes and promote ...
Emily J. Yang +3 more
wiley +1 more source
Lattice Boltzmann simulation for phase separation with chemical reaction controlled by ultrasound field. [PDF]
PLoS OneWang H, Lu Y.
europepmc +1 more source
Advanced Energy Materials, EarlyView.Counter‐halide engineering of fluorobenzylammonium surface passivators reveals bromide as the optimal partner for wide‐bandgap perovskites. FBz–Br effectively stabilizes halide‐vacancy‐related defects and undercoordinated Pb sites, suppresses non‐radiative recombination, and enhances surface hydrophobicity and thermal stability.
Huyen Tran +17 more
wiley +1 more source
Angewandte Chemie, EarlyView.LiMn2O4${\rm LiMn}_2{\rm O}_4$ is of high interest for sustainable energy storage and conversion. Its mixed‐valence Mn3+${\rm Mn}^{3+}$/Mn4+${\text{Mn}}^{4+}$ structure drives site‐specific behavior at aqueous interfaces, featuring proton‐generating Mn4+${\text{Mn}}^{4+}$ centers and electron‐rich Mn3+${\rm Mn}^{3+}$ sites that render the surrounding ...
K. Nikolas Lausch +3 more
wiley +2 more sources
Modeling and validating of oxygen transport in wave bioreactors: optimized experimental mass transfer method and novel Lattice-Boltzmann CFD approach. [PDF]
Front Bioeng BiotechnolPiontek S +5 more
europepmc +1 more source
Advanced Energy Materials, EarlyView.A state‐of‐the‐art triple cation mixed halide perovskite is characterized using thermally stimulated currents in a MIS device architecture. This enables the separate detection of densities of electron and hole states and their activation energies on the same device, unveiling defect state evolution under the degrading influence of ambient conditions ...
L. Leander Schaberg +7 more
wiley +1 more source
A Descriptor for Non‐Arrhenius Ion Transport Enables Design of Sulfide Superionic Conductors
Angewandte Chemie, EarlyView.A curated database of sulfide electrolytes reveals widespread non‐Arrhenius ion transport. Meyer–Neldel deviation (MND) quantifies this behavior, distinguishes low‐conductivity and superionic regimes, and guides composition screening. An experimentally validated candidate exhibits room‐temperature conductivity of 7.21 mS cm−1, an apparent activation ...
Han Zhou +6 more
wiley +2 more sources
Study on CO<sub>2</sub>/CH<sub>4</sub> displacement process in shale microscale models with adsorption/desorption behavior by lattice Boltzmann method. [PDF]
Sci RepZhang Y +5 more
europepmc +1 more source
Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation
Advanced Intelligent Discovery, EarlyView.Predicting a crystal’s structure from composition alone is a long‐standing challenge in materials discovery. The CSP180 benchmark of 180 inorganic crystals evaluates thirteen crystal structure prediction algorithms requiring no density functional theory (DFT) against DFT‐based baselines across twelve metrics.
Lai Wei +9 more
wiley +1 more source
Lattice Boltzmann Simulation of Spatial Fractional Convection-Diffusion Equation. [PDF]
Entropy (Basel)Bi X, Wang H.
europepmc +1 more source