The voltage penalty driving water dissociation (WD) at high current density is a major obstacle in the commercialization of bipolar membrane (BPM) technology for energy devices. Here we show that three materials descriptors, that is, electrical conductivity, microscopic surface area and (nominal) surface-hydroxyl coverage, effectively control the kinetics of WD in BPMs. Using these descriptors and optimizing mass loading, we design new earth-abundant WD catalysts based on nanoparticle SnO synthesized at low temperature with high conductivity and hydroxyl coverage. These catalysts exhibit exceptional performance in a BPM electrolyser with low WD overvoltage (η) of 100 ± 20 mV at 1.0 A cm. The new catalyst works equivalently well with hydrocarbon proton-exchange layers as it does with fluorocarbon-based Nafion, thus providing pathways to commercializing advanced BPMs for a broad array of electrolysis, fuel-cell and electrodialysis applications.
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http://dx.doi.org/10.1038/s41563-024-01943-8 | DOI Listing |
J Am Chem Soc
January 2025
Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543, Singapore.
The bifunctional mechanism, involving multiactive compositions to simultaneously dissociate water molecules and optimize intermediate adsorption, has been widely used in the design of catalysts to boost water electrolysis for sustainable hydrogen energy production but remains debatable due to difficulties in accurately identifying the reaction process. Here, we proposed the concept of well-defined Lewis pairs in single-atom catalysts, with a unique acid-base nature, to comprehensively understand the exact role of multiactive compositions in an alkaline hydrogen evolution reaction. By facilely adjusting active moieties, the induced synergistic effect between Lewis pairs (M-P/S/Cr pairs, M = Ru, Ir, Pt) can significantly facilitate the cleavage of the H-OH bond and accelerate the removal of intermediates, thereby switching the rate-determining step from the Volmer step to the Heyrovsky step.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
College of Chemistry and Materials Science, Hebei University, Baoding 071002, P. R. China.
The photoelectric conversion efficiency (PCE) of perovskites remains beneath the Shockley-Queisser limit, despite its significant potential for solar cell applications. The present focus is on investigating potential multicomponent perovskite candidates, particularly on the application of machine learning to expedite band gap screening. To efficiently identify high-performance perovskites, we utilized a data set of 1346 hybrid organic-inorganic perovskites and employed 11 machine learning models, including decision trees, convolutional neural networks (CNNs), and graph neural networks (GNNs).
View Article and Find Full Text PDFAcad Radiol
January 2025
Department of Bioengineering, University of Pittsburgh, Pittsburgh, PA 15213 (C.L., S.W.); Department of Radiology, University of Pittsburgh School of Medicine, Pittsburgh, PA 15213 (D.A., M.Z., J.S., S.W.); Department of Biomedical Informatics, University of Pittsburgh, Pittsburgh, PA 15213 (S.W.); Intelligent Systems Program, University of Pittsburgh, Pittsburgh, PA 15213 (S.W.). Electronic address:
Rationale And Objectives: In the USA over 1 million breast biopsies are performed annually. Approximately 9.6% diagnostic exams were given Breast Imaging Reporting and Data System (BI-RADS) ≥4A, most of which are 4A/4B.
View Article and Find Full Text PDFEnviron Toxicol Chem
January 2025
School of Environmental Science and Engineering, Nanjing University of Information Science and Technology, Nanjing, PR China.
In silico methods are increasingly important in predicting the ecotoxicity of engineered nanomaterials (ENMs), encompassing both individual and mixture toxicity predictions. It is widely recognized that ENMs trigger oxidative stress effects by generating intracellular reactive oxygen species (ROS), serving as a key mechanism in their cytotoxicity studies. However, existing in silico methods still face significant challenges in predicting the oxidative stress effects induced by ENMs.
View Article and Find Full Text PDFACS Nano
January 2025
Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543, Singapore.
Transition-metal dichalcogenides (TMDs), such as molybdenum disulfide (MoS), have emerged as a generation of nonprecious catalysts for the hydrogen evolution reaction (HER), largely due to their theoretical hydrogen adsorption energy close to that of platinum. However, efforts to activate the basal planes of TMDs have primarily centered around strategies such as introducing numerous atomic vacancies, creating vacancy-heteroatom complexes, or applying significant strain, especially for acidic media. These approaches, while potentially effective, present substantial challenges in practical large-scale deployment.
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