Understanding the Electrokinetic Role of Ions on Electricity Generation in Droplet-Based Hydrovoltaic Systems

Hydrovoltaic is emerging as a promising energy harvesting technology with the remarkable capability of generating energy through the direct interaction of water and material. The hydrovoltaic generates volt-level potentials without any external force, and its electrical performance can be enhanced by using an aqueous solution. However, it is not clear how salt ions affect or interact with the material. Herein, the theoretical model was used to provide an in-depth analysis of working principles. The model, validated with experimental results, incorporates four physics: water flow in unsaturated porous media, transportation of ions, chemical reactions, and electrostatics. It was found that the distribution of ions is key to improving the voltage output. The higher gradient of ions’ concentration leads to strong potential differences, and its asymmetry of concentration is mainly governed by the water flow and concentration distribution. Additionally, we analyzed the parametric effects of substrate porosity and relative humidity under salt solution. The results showed that the presence of salt ions makes the electrical performance highly sensitive to porosity but less sensitive to relative humidity. Our findings improve the understanding of hydrovoltaic mechanisms and pave the way for the practical use of hydrovoltaic systems

Dominant Effects of Epitaxial Strain on the Phase Control of Heterostructural (In_<i>x</i>Ga_1–<i>x</i>)₂O₃ Alloys

While (InxGa1–x)2O3 alloy is a crucial system for the Ga2O3-based ultrawide bandgap semiconductor application, its successful phase control has been struggling because of its heterostructural nature and rich polymorphs. Here, we identified the thermodynamic phase diagrams for both the bulk state and epitaxial state of (InxGa1–x)2O3 alloy by using comprehensive density afunctional theory (DFT) calculations and regular solution models, which is consistent with previous experimental reports. By comparing the phase diagrams under a strain-free condition and an epitaxial strain condition, we demonstrate that the epitaxial strain is a significant factor in the successful growth of alloys in heteroepitaxy processes. While the alloying of (InxGa1–x)2O3 is limited by a miscibility gap under the strain-free condition, the Al2O3 heteroepitaxy substrate opens more metastable regions for various polymorphs. With the choice of a suitable substrate, we also suggest the phase control strategy for (InxGa1–x)2O3 alloys in orthorhombic polymorphs

High-Throughput Screening on Halide Perovskite Derivatives and Rational Design of Cs₃LuCl₆

Exploring the vast and veiled chemical spaces via synthesis is essential in solid-state materials. However, navigating uncharted chemical spaces can be a daunting task, particularly when a material has complex structural features. Metal halides represent one such space, where the coexistence of perovskites and their derivatives has restricted the exploration of this fascinating family. Here, we meticulously collect inorganic halide perovskite derivatives and systematically explore them via a combination of high-throughput density functional theory calculations and machine learning. We chart the chemical spaces by listing stable compositions on the periodic table and yield informatics on electrical properties and thermal stability. Guided by these predictions, we showcase the successful synthesis of new Cs3LuCl6, as well as its implementation into white-light-emitting diodes. Our exploration can inspire the design of inorganic metal halides, thereby paving the way for envisioning their practical applications across various fields

High-Throughput Screening on Halide Perovskite Derivatives and Rational Design of Cs₃LuCl₆

Exploring the vast and veiled chemical spaces via synthesis is essential in solid-state materials. However, navigating uncharted chemical spaces can be a daunting task, particularly when a material has complex structural features. Metal halides represent one such space, where the coexistence of perovskites and their derivatives has restricted the exploration of this fascinating family. Here, we meticulously collect inorganic halide perovskite derivatives and systematically explore them via a combination of high-throughput density functional theory calculations and machine learning. We chart the chemical spaces by listing stable compositions on the periodic table and yield informatics on electrical properties and thermal stability. Guided by these predictions, we showcase the successful synthesis of new Cs3LuCl6, as well as its implementation into white-light-emitting diodes. Our exploration can inspire the design of inorganic metal halides, thereby paving the way for envisioning their practical applications across various fields

High-Throughput Screening on Halide Perovskite Derivatives and Rational Design of Cs₃LuCl₆

Exploring the vast and veiled chemical spaces via synthesis is essential in solid-state materials. However, navigating uncharted chemical spaces can be a daunting task, particularly when a material has complex structural features. Metal halides represent one such space, where the coexistence of perovskites and their derivatives has restricted the exploration of this fascinating family. Here, we meticulously collect inorganic halide perovskite derivatives and systematically explore them via a combination of high-throughput density functional theory calculations and machine learning. We chart the chemical spaces by listing stable compositions on the periodic table and yield informatics on electrical properties and thermal stability. Guided by these predictions, we showcase the successful synthesis of new Cs3LuCl6, as well as its implementation into white-light-emitting diodes. Our exploration can inspire the design of inorganic metal halides, thereby paving the way for envisioning their practical applications across various fields