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IEEE International Conference on Emerging & Sustainable Technologies for Power & ICT in a Developing Society (NIGERCON)

作者： Remilekun R. Elewa Temitayo S. Ogedengbe Olawale Charles Ogunnigbo Sunday A. Afolalu Moses E. Emetere Adediran A.A Oluwatoyin Augustine Ojo Mechanical and Mechatronics Engineering Department Afe Babalola University Ado-Ekiti Nigeria Mechanical Engineering Department Nile University of Nigeria Abuja Department of Mechanical Science University Johannesburg South Africa Physics Program. Bowen University Iwo Osun State Nigeria Department of Metallurgical & Materials Engineering Federal University Ekiti Nigeria Department of Mechanical Engineering Science University of Johannesburg South Africa

ISBN: (数字)9798331542559

ISBN: (纸本)9798331542566

Every human being has the basic need for clean drinking water, however 1.1 billion people worldwide do not have access to it. While there are other methods for purifying water, including filtration, reverse osmosis, UV light, and carbon absorption, but distillation and boiling are the most dependable. Distillation is a vital method of purifying water, particularly in areas where tap water or water resources are unfit for human consumption without chemical or heating treatment. This review discusses the recent advances in water distillation. The techniques employed and challenges involved have also been discussed. Finally, the future direction of technology in this regard has been reviewed.

关键词： Humanities Heat treatment Reviews Purification Filtration Water heating Production Reverse osmosis Water resources Chemicals

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Learning Molecular Mixture Property Using Chemistry-Aware Graph Neural Network

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PRX Energy 2024年第2期3卷 023006-023006页

作者： Hengrui Zhang (张恒睿) Tianxing Lai (来天行) Jie Chen Arumugam Manthiram James M. Rondinelli Wei Chen Department of Mechanical Engineering Materials Science and Engineering Program and Texas Materials Institute Department of Materials Science and Engineering

Recent advances in machine learning (ML) are expediting materials discovery and design. One significant challenge facing ML for materials is the expansive combinatorial space of potential materials formed by diverse constituents and their flexible configurations. This complexity is particularly evident in molecular mixtures, a frequently explored space for materials, such as battery electrolytes. Owing to the complex structures of molecules and the sequence-independent nature of mixtures, conventional ML methods have difficulties in modeling such systems. Here, we present MolSets, a specialized ML model for molecular mixtures, to overcome the difficulties. Representing individual molecules as graphs and their mixture as a set, MolSets leverages a graph neural network and the deep sets architecture to extract information at the molecular level and aggregate it at the mixture level, thus addressing local complexity while retaining global flexibility. We demonstrate the efficacy of MolSets in predicting the conductivity of lithium battery electrolytes and highlight its benefits in the virtual screening of the combinatorial chemical space.

关键词： Lithium batteries Molecules Artificial neural networks Graph theory Machine learning

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Efficient synthesis method of CsPbBr3/Al2O3 composite powders for scalable production: Augmented green emission and thermal stability

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Journal of Industrial and engineering Chemistry 2025年

作者： Kim, Seok-Hun Shin, Weon Ho Oh, Jong-Min Kim, Sang-Wook Kim, Sunghoon Center for Brain Busan 21 Plus Program Dong-Eui University Busan47340 Korea Republic of Department of Electronic Materials Engineering Kwangwoon University Seoul01897 Korea Republic of Department of Molecular Science and Technology Ajou University Suwon16499 Korea Republic of

Metal halide perovskites (MHPs) have gained significant attention for their exceptional optoelectronic properties, particularly in displays. However, their practical utility is severely limited by their intrinsic instability, including poor thermal stability, photostability, and susceptibility to moisture-induced degradation. This study introduces scalable synthesis of CsPbBr3/Al2O3 green-emitting phosphors, using submicron Al2O3 as a support, comparing mechanochemical reaction (MRM) and dissolution-evaporation (DEM) methods. DEM is the optimal route, enabling the formation of monoclinic CsPbBr3/Al2O3 with high photoluminescence quantum yield (PLQY) and enhanced stability. The influence of the CsPbBr3 to Al2O3 mass ratio on PLQY was quantitatively analyzed using the Halder-Wagner method, which indirectly calculated crystallite size and its correlation with PLQY. The composite demonstrated exceptional thermal stability, maintaining over 90 % of its initial PL intensity after 200 °C exposure for 15 days and showed excellent photostability, maintaining nearly its initial luminous efficiency under the currents of 20 mA and 70 mA for 10000-seconds. When integrated as a green phosphor in a white LED package with K2SiF6:Mn+4 as a red phosphor, it achieved a luminous efficiency of 25 lm W−1 and a color gamut of 112.4 % NTSC. These results highlight the potential of CsPbBr3/Al2O3 composites for cost-effective, stable, and high-performance optoelectronic applications. © 2025 The Korean Society of Industrial and engineering Chemistry

关键词： Perovskite

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Enhancement of superconducting transition temperature in Nb/Pd bilayers upon rapid thermal hydrogenation

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Physical Review B 2023年第10期108卷 104502-104502页

作者： Junjie Li Ali C. Basaran Ralph El Hage Ivan K. Schuller Department of Physics and Center for Advanced Nanoscience University of California–San Diego La Jolla California 92093 USA Materials Science and Engineering Program University of California–San Diego La Jolla California 92093 USA

Recent discoveries of high-Tc superconducting hydrides at high pressure have opened up new possibilities for improving the superconducting transition temperature (Tc) using hydrogenation. Here, a unique thermodynamic approach is developed based on the concept of rapid thermal annealing and is adopted to study the hydrogenation effect on the superconducting properties of Nb/Pd bilayer films. Below 300∘C annealing temperatures, the Tc is enhanced from 8.77 to 9.06 K and is correlated with the compression of the Nb unit cell. A weak lattice expansion occurs at higher annealing temperatures, and the Tc is gradually suppressed. Furthermore, the rapid thermal hydrogenation affects the Tc differently depending on the substrate on which the Nb/Pd bilayers are grown. For the c-cut Al2O3 substrate, the Tc reduction starts at 250∘C, while for the r-cut Al2O3, this occurs at 350∘C. We associate these features with the elastic behavior of Nb film upon hydrogenation. A proposed model shows that the increase of Tc could be caused by the compressive stress related to the rapid nucleation of hydrides or the removal of impurities. Our discoveries provide insights into how superconductivity can be manipulated by rapid thermal hydrogenation.

关键词： Superconductivity Elemental superconductors Thin films Film deposition Heat treatment X-ray diffraction

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Micromechanical origin of heat transfer to granular flow

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Physical Review E 2024年第4期109卷 L042902-L042902页

作者： Xintong Zhang Sarath Adapa Tianshi Feng Jian Zeng Ka Man Chung Clifford Ho Kevin Albrecht Renkun Chen Department of Mechanical and Aerospace Engineering University of California San Diego La Jolla California 92093 USA Program in Materials Science and Engineering University of California San Diego La Jolla California 92093 USA Concentrating Solar Technologies Department Sandia National Laboratories 1515 Eubank Boulevard SE Albuquerque New Mexico 87123 USA

Heat transfer across a granular flow is comprised of two resistances in series : near the wall and within the bulk particle bed, neither of which is well understood due to the lack of experimental probes to separate their respective contribution. Here, we use a frequency modulated photothermal technique to separately quantify the thermal resistances in the near-wall and the bulk bed regions of particles in flowing states. Compared to the stationary state, the flowing leads to a higher near-wall resistance and a lower thermal conductivity of bulk beds. Coupled with discrete element method simulation, we show that the near-wall resistance can be explained by particle diffusion in granular flows.

关键词： Fluidized beds Granular flows Granular materials Granular packing Interparticle interactions

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Unveiling Processing–Property Relationships in Laser Powder Bed Fusion: The Synergy of Machine Learning and High-throughput Experiments

arXiv

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arXiv 2024年

作者： Amiri, Mahsa Foumani, Zahra Zanjani Cao, Penghui Valdevit, Lorenzo Bostanabad, Ramin Materials and Manufacturing Technology Program University of California IrvineCA92697 United States Department of Mechanical and Aerospace Engineering University of California IrvineCA92697 United States Department of Materials Science and Engineering University of California IrvineCA92697 United States Department of Civil and Environmental Engineering University of California IrvineCA92697 United States

Achieving desired mechanical properties in additive manufacturing requires many experiments and a well-defined design framework becomes crucial in reducing trials and conserving resources. Here, we propose a methodology embracing the synergy between high-throughput (HT) experimentation and hierarchical machine learning (ML) to unveil the complex relationships between a large set of process parameters in Laser Powder Bed Fusion (LPBF) and selected mechanical properties (tensile strength and ductility). The HT method envisions the fabrication of small samples for rapid automated hardness and porosity characterization, and a smaller set of tensile specimens for more labor-intensive direct measurement of yield strength and ductility. The ML approach is based on a sequential application of Gaussian processes (GPs) where the correlations between process parameters and hardness/porosity are first learnt and subsequently adopted by the GPs that relate strength and ductility to process parameters. Finally, an optimization scheme is devised that leverages these GPs to identify the processing parameters that maximize combinations of strength and ductility. By founding the learning on larger "easy-to-collect" and smaller "labor-intensive" data, we reduce the reliance on expensive characterization and enable exploration of a large processing space. Our approach is material-agnostic and herein we demonstrate its application on 17-4PH stainless steel. © 2024, CC BY.

关键词： Global positioning system

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materials and devices for flexible and stretchable photodetectors and light-emitting diodes

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Nano Research 2021年第9期14卷 2919-2937页

作者： Jun-Kyul Song Min Sung Kim Seungwon Yoo Ja Hoon Koo Dae-Hyeong Kim Center for Nanoparticle Research Institute for Basic Science(IBS)Seoul 08826Republic of Korea School of Chemical and Biological Engineering and Institute of Chemical Processes Seoul National UniversitySeoul 08826Republic of Korea Interdisciplinary Program for Bioengineering Seoul National UniversitySeoul 08826Republic of Korea Department of Materials Science and Engineering Seoul National UniversitySeoul 08826Republic of Korea

Recently,significant efforts have been directed at overcoming the limitations of conventional rigid optoelectronic devices,particularly their poor mechanical stability under bending,folding,and stretching *** of major approaches for rendering optoelectronic devices mechanically deformable is to replace the conventional electronic/optoelectronic materials with functional nanomaterials or organic materials that are intrinsically flexible/***,advanced device designs and unconventional fabrication methods have also contributed to the development of soft optoelectronic ***,new devices such as bio-inspired curved image sensors,wearable light emitting devices,and deformable bio-integrated optoelectronic devices have been *** this review,recent progress in the development of soft optoelectronic materials and devices is ***,various materials such as nanomaterials,organic materials,and their hybrids that are suitable for developing deformable photodetectors,are ***,the nanomaterials and organic/polymeric materials that are applicable in deformable light-emitting diodes are ***,representative system-level applications of flexible and stretchable photodetectors and light-emitting diodes are reviewed,and future prospects are discussed.

关键词： nanomaterial organic material photodetector light-emitting diode flexible optoelectronics stretchable optoelectronics

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Theoretical insights into metal-doped nanostructured hematite catalyst supported by graphene underlayer for photoelectrochemical water splitting applications

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Discover Catalysis 2025年第1期2卷 1-27页

作者： Bhattacharya, Labanya Caspary Toroker, Maytal Department of Materials Science and Engineering Technion-Israel Institute of Technology Haifa Israel The Nancy and Stephen Grand Technion Energy Program Technion-Israel Institute of Technology Haifa Israel Resnick Sustainability Center for Catalysis Technion-Israel Institute of Technology Haifa Israel

Catalysis is pivotal in the production of green hydrogen through water splitting to meet the goal of carbon neutrality. Hematite (Fe2O3) is an excellent catalyst and benchmarked photoanode materials in photoelectrochemical water splitting. Among the metal dopants, aluminum (Al) substitution in hematite is found intrinsically. In this study, we investigate Al doped nanostructured hematite as a photoanode material and a catalyst in water oxidation mechanism using density functional theory+ U methodology. We have found that Al doping in hematite monolayer leads to unfavorable increase in theoretical overpotential value by 0.19 V. To improve the efficiency of oxygen evolution reaction, we consider heterostructuring of Al doped nanostructured hematite with pristine graphene and nitrogen (N) doped graphene as an underlayer material. Nitrogen doped graphene underlayer leads to the lowest overpotential value of 0.54 V compared to Al doped hematite catalyst (0.96 V) and graphene-Al doped hematite catalyst (0.63 V). The work function is notably reduced after nitrogen doping by 1.41 eV and 1.12 eV as compared to graphene-Al doped hematite and Al doped hematite, respectively. Charge density difference and Bader charge analysis confirm that nitrogen doped graphene underlayer induces delocalized charge density and lowers the activity of the surface states in the *O intermediate. Nitrogen doped graphene-Al doped hematite heterostructure has nearly zero band gap and has the highest cumulative probability of charge transport at photoanode’s surface. Our theoretical study provides mechanistic insights into improving the catalytic efficiency of Al doped nanostructured hematite by heterostructuring with pristine and N doped graphene.

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Phosphorous-doped bimetallic sulfides embedded in heteroatom-doped carbon nanoarrays for flexible all-solid-state supercapacitors

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science China materials 2021年第10期64卷 2439-2453页

作者： Shuo Li Minghao Hua Yuan Yang Xiaowen Zheng Wei Huang Pengchao Si Lijie Ci Jun Lou Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials(Ministry of Education) Research Center for Carbon NanomaterialsSchool of Materials Science and EngineeringShandong UniversityJinan 250061China Department of Chemistry Technical University of DenmarkDK-2800 Kongens LyngbyDenmark Department of Materials Science and NanoEngineering Rice UniversityHoustonTX 77005USA

Flexible supercapacitors(SCs)have become a popular research topic due to their extra-long service life,foldability,and ***,their low energy density restricts their ***,we synthesized phosphorus-doped bimetallic sulfides embedded in heteroatom-doped(N,S,and P)carbon shells(P-ZCS/HC)using a simple approach to create high-performance flexible *** three-dimensional architecture made by interlaced nanosheets was preserved,and raised nanoparticles appeared on the rough surface during the annealing operation,increasing the specific surface area and potential exposure to the *** is noteworthy that the optimal P-ZCS/HC electrode possessed a remarkable capacity of 1080 C g^(-1)at 1 A g^(-1)along with superb cycling *** extraordinary properties were primarily caused by plentiful redox reactions,enhanced conductivity,and synergic effects of the P-doped metal sulfides and heteroatom-doped carbon *** functional theory simulations confirmed the good function of the P-doped electrodes and their ability to boost conductivity,improve reactive dynamics,and promote ***,the assembled all-solid-state hybrid SC exhibited a maximum energy density of 62.9 W h kg^(-1)and a power density of 16 k W kg^(-1),while being able to maintain 92.0%of its initial capacity after 10,000 *** systematic report provides new insight into the design and synthesis of electrodes with complex components and outstanding structures for the flexible energy field.

关键词： supercapacitors metal sulfides phosphorus doping DFT calculations nanoarrays

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Improper Ferroelectricity at the Monolayer Limit

arXiv

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arXiv 2025年

作者： Li, Yilin Evan Harikrishnan, K.P. Lu, Haidong Steinhardt, Rachel A. Holtz, Megan E. Brützam, Mario Dykes, Matthew M. Arenholz, Elke Hazra, Sankalpa LaVopa, Adriana Huang, Xiaoxi Zhao, Wenwen Behera, Piush Ramesh, Maya Krysko, Evan Gopalan, Venkatraman Ramesh, Ramamoorthy Fennie, Craig J. Cava, Robert J. Guguschev, Christo Gruverman, Alexei Muller, David A. Schlom, Darrell G. Department of Materials Science and Engineering Cornell University IthacaNY United States School of Applied and Engineering Physics Cornell University IthacaNY United States Department of Physics and Astronomy University of Nebraska LincolnNE United States Leibniz-Institut für Kristallzüchtung Berlin Germany Department of Physics Cornell University IthacaNY United States Physical Sciences Division Pacific Northwest National Laboratory RichlandWA United States Department of Materials Science and Engineering The Pennsylvania State University University ParkPA United States Department of Materials Science and Engineering University of California Berkeley BerkeleyCA United States Department of Physics The Pennsylvania State University University ParkPA United States Department of Materials Science and Nanoengineering Rice University HoustonTX United States Department of Physics and Astronomy Rice University HoustonTX United States Kavli Institute Cornell for Nanoscale Science IthacaNY United States Department of Chemistry Princeton University PrincetonNJ United States Components Research Intel Corporation HillsboroOR United States Department of Metallurgical and Materials Engineering Colorado School of Mines GoldenCO United States Department of Materials Science and Engineering University of Florida GainesvilleFL United States

Ultrathin ferroelectric films with out-of-plane polarization and high Curie temperatures are key to miniaturizing electronic devices1,2. Most ferroelectrics employed in devices are proper ferroelectrics, where spontaneous polarization is the primary order parameter3,4. Unfortunately, the Curie temperature of proper ferroelectrics is drastically reduced as the ferroelectric becomes thin5,6;nearly all proper ferroelectrics need to be thicker than several unit cells5,7–9. The absence of an ultrathin limit has been predicted10,11, but not verified12,13 for improper ferroelectrics. These are ferroelectrics where the polarization emerges secondary to the primary order parameter, such as a structural distortion14,15. Here we report improper ferroelectricity with an undiminished Curie temperature in a 0.75-unit-cell-thick hexagonal LuFeO3 (h-LuFeO3) film grown on a SrCo2Ru4O11 bottom electrode with an atomically engineered monolayer bridging layer. Our results demonstrate the absence of a critical thickness for improper ferroelectricity and provide a methodology for creating ultrathin improper ferroelectrics by stabilizing their primary order parameters. © 2025, CC BY-NC-ND.

关键词： Ferroelectricity

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