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Machine Learning-Based Prediction of Corrosion Inhibition Efficiency of Expired Pharmaceuticals: Model Development and Application

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Journal of Bio- and Tribo-Corrosion 2025年第1期11卷 1-12页

作者： Putra, Dzaki Asari Surya Ardyansyah, Nibras Bahy Putranto, Nicholaus Verdhy Trisnapradika, Gustina Alfa Akrom, Muhamad Rustad, Supriadi Dipojono, Hermawan Kresno Maezono, Ryo Faculty of Computer Science Study Program in Informatics Engineering Universitas Dian Nuswantoro Semarang50131 Indonesia Research Center for Materials Informatics Faculty of Computer Science Universitas Dian Nuswantoro Semarang50131 Indonesia Quantum and Nano Technologies Research Group Faculty of Industrial Technology Institut Teknologi Bandung Bandung40132 Indonesia School of Information Science Japan Advanced Institute of Science and Technology Ishikawa923-1292 Japan

Corrosion poses a significant challenge in industries due to material degradation and high maintenance costs, making effective inhibitors essential. Recent studies suggest expired pharmaceuticals as alternative corrosion inhibitors, but identifying the most efficient compounds can be time-consuming. This study applies machine learning models, particularly Gradient Boosting Regressor (GBR), to predict corrosion inhibition efficiency (CIE). The developed model is integrated into a web-based application, enabling real-time, accurate CIE predictions. Results show GBR as the more precise model for predicting CIE, with low error rates. The streamlit-based web application offers a user-friendly platform, facilitating quick identification of suitable inhibitors. It is flexible, supporting analysis beyond corrosion inhibitors, and significantly enhances the efficiency of the evaluation process. © The Author(s), under exclusive licence to Springer Nature Switzerland AG 2025.

关键词： Adversarial machine learning

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Renewable energy application of pulsed laser annealing perovskite quantum dots materials

Renewable energy application of pulsed laser annealing perov...

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nanoscale and Quantum Materials: From Synthesis and Laser Processing to Applications 2025

作者： Lin, Yen-Ting Hsieh, Jui-Ting Tsai, Meng-Lin Yang, Chan-Shan Institute and Undergraduate Program of Electro-Optical Engineering National Taiwan Normal University Taipei Taiwan Department of Materials Science and Engineering National Taiwan University of Science and Technology Taipei Taiwan Micro/Nano Device Inspection and Research Center National Taiwan Normal University Taiwan Applied High Entropy Technology Center National Cheng Kung University Tainan Taiwan

ISBN: (纸本)9781510684522

With the advancement of the global economy and technology, energy demand has become an urgent issue, prompting heightened attention to environmental friendliness and sustainable development. Solar energy, as a significant renewable resource, has garnered widespread attention despite facing challenges in conversion efficiency. Perovskite materials, due to their cubic crystal structure exhibiting excellent optoelectronic properties and a broad spectrum response, along with low manufacturing costs, have emerged as a recent research focus. These materials have shown remarkable potential in solar cells, light-emitting devices, and photodetectors, offering high efficiency, tunable bandgaps, and scalable fabrication processes. This study enhances the optical performance and stability of perovskite quantum dots through femtosecond pulse laser annealing technology, thereby improving their quantum yield. Advanced optical systems are employed for analysis, fully leveraging the advantages of perovskite materials in photovoltaic conversion. This research not only provides foundational solutions to pressing energy challenges but also promotes the transition of society towards cleaner and more sustainable energy technologies. Moreover, it contributes to the advancement of more efficient solar technologies, promoting innovation and development in future energy sources, and effectively reducing dependence on non-renewable energy. This is of significant importance for environmental protection, ensuring a better living environment for the future generations. © 2025 SPIE.

关键词： nanocrystals

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Molecular Engineering of Benzobisoxazole-Based Conjugated Polymers for High-Performance Organic Photodetectors and Fingerprint Image Sensors

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Energy & Environmental Materials 2025年第1期8卷 155-167页

作者： Cheol Shin Won Jo Jeong Ezgi Darici Lee Jong Baek Park Hyungju Ahn Seyeon Baek Myeong In Kim Dae Sung Chung Kang-Il Seo In Hwan Jung Department of Organic and Nano Engineering and Human-Tech Convergence Program Hanyang University CLAP Co. Ltd. Pohang Accelerator Laboratory POSTECH Department of Chemical Engineering Pohang University of Science and Technology (POSTECH)

Various novel conjugated polymers(CPs) have been developed for organic photodetectors(OPDs),but their application to practical image sensors such as X-ray,R/G/B,and fingerprint sensors is *** this article,we report the entire process from the synthesis and molecular engineering of novel CPs to the development of OPDs and fingerprint image *** synthesized six benzo[1,2-d:4,5-d']bis(oxazole)(BBO)-based CPs by modifying the alkyl side chains of the CPs.

关键词： alkyl side chain engineering fingerprint image sensor on/off ratio organic photodetector specific detectivity

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Implementation and Evaluation of 0.6 µm CMOS Complex RCPF for Accurate Frequency Response Measurement

IEEJ Transactions on Electronics, Information and Systems

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IEEJ Transactions on Electronics, Information and Systems 2025年第1期145卷 25-37页

作者： Sato, Lina Fukagawa, Kanta Shouno, Kazuhiro Tanimoto, Hiroshi Muto, Cosy Moriyama, Seijiro Takahashi, Chikau Yoshino, Michitaka Graduate School of Science and Technology Degree Programs in Systems and Information Engineering Master’s Program in Computer Science University of Tsukuba Japan Division of Information Engineering University of Tsukuba 1-1-1 Tennoudai Ibaraki Tsukuba305-8573 Japan Kitami Institute of Technology 165 Koen-cho Hokkaido Kitami090-8507 Japan Faculty of Education Nagasaki University 1-14 Bunkyo-machi Nagasaki852-8521 Japan Anagix Corporation 3-22-27 Numama Kanagawa Zushi249-0004 Japan Takamori Corporation Japan Research Center for Micro-Nano Technology Hosei University 3-11-15 Midori-cho Koganei Tokyo184-0003 Japan

This paper describes the implementation and evaluation of an RC polyphase filter (RCPF) and circuitry for measuring its frequency characteristics. The integrated circuit is fabricated on a 0.6 µm CMOS process and its supply voltage is 5 V. The integrated circuit includes a filter under test (FUT), a four-phase square wave generator, several analog switches and differential amplifiers to amplify the high-impedance signals of the RCPF. This FUT is a third-order complex RCPF whose passband is 8 − 40 MHz. This paper describes the design of these circuits in detail. This integrated circuit can select two measurement methods by means of external control signals. The first method uses a four-phase square wave. The frequency characteristics are measured by using an on-chip four-phase square wave generator driven by an external clock generator and by a spectrum analyzer tuned to the fundamental frequency. The second method uses an external network analyzer. Furthermore, this integrated circuit is equipped with a calibration circuit to measure the frequency characteristics of the circuitry except FUT by passing through the input / output signals of the FUT. As a result, the frequency characteristics of the FUT itself can be accurately measured. The effectiveness is confirmed through evaluation of the fabricated integrated circuit. © 2025 The Institute of Electrical Engineers of Japan.

关键词： Differential amplifiers

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Interfacial engineering and rapid thermal crystallization of Sb 2 S 3 photoanodes for enhanced photoelectrochemical performances

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Journal of Energy Chemistry 2025年 108卷 417-426页

作者： Runfa Tan Seo Yeong Hong Yoo Jae Jeong Seong Sik Shin In Sun Cho Department of Materials Science & Engineering Ajou University Suwon 16499 Republic of Korea Department of Energy Systems Research Ajou University Suwon 16499 Republic of Korea Materials Science and Engineering Program University of Colorado Boulder Boulder CO 80303 United States Department of Nano Engineering Department of Nano Science and Technology SKKU Advanced Institute of Nanotechnology (SAINT) Sungkyunkwan University Suwon 16419 Republic of Korea SKKU Institute of Energy Science and Technology (SIEST) Sungkyunkwan University Suwon 16419 Republic of Korea

Antimony sulfide (Sb 2 S 3 ) is a promising material for photoelectrochemical (PEC) devices that generate green hydrogen from sunlight and water. In this study, we present a synthesis of high-performance Sb 2 S 3 photoanodes via an interface-engineered hydrothermal growth followed by rapid thermal annealing (RTA). A TiO 2 interfacial layer plays a crucial role in ensuring homogeneous precursor deposition, enhancing light absorption, and forming efficient heterojunctions with Sb 2 S 3 , thereby significantly improving charge separation and transport. RTA further improves crystallinity and interfacial contact, resulting in dense and uniform Sb 2 S 3 films with enlarged grains and fewer defects. The optimized Sb 2 S 3 photoanode achieves a photocurrent density of 2.51 mA/cm 2 at 1.23 V vs. the reversible hydrogen electrode (RHE), one of the highest reported for Sb 2 S 3 without additional catalysts or passivation layers. To overcome the limitations of oxygen evolution reaction (OER), we employ the iodide oxidation reaction (IOR) as an alternative, significantly lowering the overpotential and improving charge transfer kinetics. Consequently, it produces a record photocurrent density of 8.9 mA/cm 2 at 0.54 V vs. RHE. This work highlights the synergy between TiO 2 interfacial engineering, RTA-induced crystallization, and IOR-driven oxidation, offering a promising pathway for efficient and scalable PEC hydrogen production.

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Insights into the role of metal dopant on ammonia decomposition over graphene-supported Ni6, Ni5Pt, and Ni5Rh clusters

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International Journal of Hydrogen Energy 2025年 130卷 168-175页

作者： Yusuf, Alfani Budiantono, Reva Juangsa, Firman Bagja Aziz, Muhammad Budiyanto, Muhammad Arif Saputro, Adhitya Gandaryus Mahyuddin, Muhammad Haris Graduate Program of Engineering Physics Faculty of Industrial Technology Institut Teknologi Bandung Jl. Ganesha 10 Bandung40132 Indonesia PLN Nusantara Power UMRO Jl. Pluit Karang Ayu Barat No. 1 Jakarta14450 Indonesia Thermal Science and Engineering Research Group Faculty of Mechanical and Aerospace Engineering Institut Teknologi Bandung Jl Ganesha 10 Bandung40132 Indonesia Institute of Industrial Science The University of Tokyo 4-6-1 Komaba Meguro-ku Tokyo153-8505 Japan Department of Mechanical Engineering Universitas Indonesia Depok16424 Indonesia Quantum and Nano Technology Research Group Faculty of Industrial Technology Institut Teknologi Bandung Jl. Ganesha 10 Bandung40132 Indonesia Research Center for Nanoscience and Nanotechnology Institut Teknologi Bandung Jl. Ganesha 10 Bandung40132 Indonesia

Ammonia (NH3) is a promising hydrogen (H2) carrier, owing to its high hydrogen content and ease of storage. However, efficient catalytic decomposition of NH3 to H2 remains challenging. This study investigates the catalytic activity of graphene-supported Ni6, Ni5Pt, and Ni5Rh clusters for NH3 decomposition to N2 and H2 using density functional theory (DFT) calculations. The results show that the addition of Pt and Rh dopants weakens the adsorption of intermediates formed during the NH3 dehydrogenation step and slightly increases the activation energies. Interestingly, however, this drawback becomes a key factor in enhancing the activity of the subsequent N–N association and H–H recombination steps, which are critical for the reaction to cycle. Our electronic structure analysis reveals that the decreased activity in the NH3 dehydrogenation step but increased activity in the N2 and H2 formation steps are due to the ligand effect exerted by Pt and Rh. Specifically, since the metal dopants have higher electronegativities than Ni, the number of electrons at the preferred Ni-edge site decreases and eventually weakens the adsorption. Furthermore, the spatially broad nature of the Pt-5d and Rh-4d orbitals delocalizes the cluster's electron distribution, which weakens the 2N and 2H adsorption and thus eases the N2 and H2 formation. This study provides insights into the role of noble metal dopants in optimizing Ni-based catalysts for NH3 decomposition, paving the way for efficient H2 utility technologies. © 2025 Hydrogen Energy Publications LLC

关键词： Dehydrogenation

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Synergetic effects of multiple junction and surface hydroxyl in Cu/CuO/Cu2O/TiO2 heterostructures towards highly efficient photocatalysts for hydrogen generation

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Materials science for Energy Technologies 2025年 8卷 131-142页

作者： Subagyo, Riki Anindika, Garcelina Rizky Aufkani, Afif Akmal Zhang, Lei Ardhyananta, Hosta Burhan, R.Y. Perry Nugraheni, Zjahra Vianita Akhlus, Syafsir Bahruji, Hasliza Prasetyoko, Didik Wellia, Diana Vanda Ivansyah, Atthar Luqman Arramel Kusumawati, Yuly Department of Chemistry Faculty of Science and Analytic Data Institut Teknologi Sepuluh Nopember Surabaya60111 Indonesia Center of Excellence Applied Physics and Chemistry Nano Center Indonesia Jl PUSPIPTEK South Tangerang Banten15314 Indonesia Department of Physics National University of Singapore Singapore117551 Singapore Department of Materials and Metallurgical Engineering Faculty of Industrial Technology and Systems Engineering Institut Teknologi Sepuluh Nopember Surabaya60111 Indonesia Centre of Advanced Material and Energy Science Universiti Brunei Darussalam Jalan Tungku Link BE 1410 Brunei Department of Chemistry Faculty of Mathematics and Natural Sciences Universitas Andalas Padang25163 Indonesia Master Program in Computational Science Faculty of Mathematics and Natural Science Institut Teknologi Bandung Jalan Ganesha No. 10 Bandung40132 Indonesia Instrumentation and Computational Physics Research Group Department of Physics Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jalan Ganesha No.10 West Java Bandung40132 Indonesia

The implementation of titanium dioxide (TiO2) as a photocatalyst material in hydrogen (H2) evolution reaction (HER) has embarked renewed interest in the past decade. Rapid electron-hole pairs recombination and wide band gap of a photo-sensitive material of TiO2 are detrimental toward the targeted catalytical reaction. In this study, we present the rational design, fabrication, photocatalytic performance of TiO2-Cu/CuO/Cu2O heterostructures (CuTi) using viable chemical reduction method. The Z-scheme and S-scheme are succesfully generated across the TiO2/CuO/Cu2O interfaces, while the Schottky junction arises on the Cu perimeters. This is evidenced from the blue shifted about 0.3 eV of Cu 2p core level determined by using X-ray photoemission spectroscopy (XPS), in combination with the formation of inverse V-shape of the Mott-Schottky plots. In addition, we find that Cu/CuO/Cu2O facilitates photon absorption range up to the visible region. The multiple heterojunction and the large number of OHsurface enhanced charge carrier transfer are associated to the suppression of photoluminescence (PL) intensity, high surface hydroxyl (OHsurface) density in CuTi probed by XPS, and fast electron transfer based on the electrochemical measurements. The presence of OHsurface inhibits the recombination of electron. A significant H2 photogeneration rate enhancement is achieved when an optimized 5 wt% Cu/CuO/Cu2O concentration is used on TiO2 to achieve 7,157.19 μmol·g−1 (1,789.30 μmol·g−1·h−1). Based on this finding, zero emission energy innitiative could be materialized under multiple heterojunctions in photocatalytic process is beneficial for enhancing the H2 production. © 2025 The Authors

关键词： Titanium dioxide

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Mechanical Analysis of Lithium-Ion Batteries Via Acoustic Impedance Spectroscopy

ACS Electrochemistry

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ACS Electrochemistry 2025年第4期1卷 516-522页

作者： Charles Soulen Stewart Sherrit Erik Brandon Ping Liu Program of Materials Science and Engineering University of California San Diego 9500 Gilman Drive La Jolla California 92093 United States Jet Propulsion Laboratory California Institute of Technology 4800 Oak Grove Drive Pasadena California 91109 United States Program of Materials Science and Engineering University of California San Diego 9500 Gilman Drive La Jolla California 92093 United States；Aiiso Yufeng Li Department of Chemical and Nano Engineering University of California San Diego 9500 Gilman Drive La Jolla California 92093 United States

The mechanical properties of lithium-ion batteries (LIB) are closely related to their state-of-charge (SOC) and state-of-health (SOH). Here, we introduce an in-operando acoustic technique based on acoustic impedance spectroscopy (AIS) which probes the mechanical changes that occur in the LIB during operation. Using thin, inexpensive piezoelectric resonators and widely available impedance analyzers, we can identify the acoustic resonances of commercial LIBs by measuring the complex electrical impedance of the resonator. In-operando AIS shows that these resonances are dependent on the bulk mechanical properties of the LIB, which change reversibly as the cell is cycled. We show that this technique can provide substantial information on both the SOC and SOH of a commercial LIB.

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Corrigendum to "Effect of cell imprinting on viability and drug susceptibility of breast cancer cells to doxorubicin" [Acta Biomaterialia, 2020, 113, 119-129] (Acta Biomaterialia (2020) 113 (119–129), (S1742706120303287), (10.1016/***.2020.06.007))

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Acta Biomaterialia 2025年 198卷 571-572页

作者： Shahriyari, Fatemeh Janmaleki, Mohsen Sharifi, Shahriar Hesar, Milad Eyvazi Hoshian, Sasha Taghiabadi, Reza Razaghian, Ahmad Ghadiri, Majid Peirovi, Afshin Mahmoudi, Morteza Nezhad, Amir Sanati Khademhosseini, Ali Division of Engineering in Medicine Department of Medicine Brigham and Women's Hospital Harvard Medical School CambridgeMA United States Division of Health Sciences & Technology Harvard-Massachusetts Institute of Technology Massachusetts Institute of Technology CambridgeMA United States Department of Materials Engineering Faculty of Engineering Imam Khomeini International University Qazvin Iran Biomedical Engineering Graduate Program University of Calgary Canada Precision Health Program and Department of Radiology Michigan State University East LansingMI48824 United States RWTH Aachen University Templergraben 55 Aachen52062 Germany Department of Chemistry and Materials Science Aalto University School of Chemical Engineering Espoo Finland Department of Mechanical Engineering Faculty of Engineering Imam Khomeini International University Qazvin Iran Nano-Biotechnology Department Pasteur Institute of Iran Tehran Iran Departments of Bioengineering Chemical and Biomolecular Engineering and Radiological Sciences Center for Minimally Invasive Therapeutics California NanoSystems Institute University of California – Los Angeles Los AngelesCA United States Terasaki Institute for Biomedical Innovation Los AngelesCA United States

The authors regret to report that the images for panels h (Plain PDMS) and I (MCF7-imprinted PDMS) in Fig. 3 were mistakenly taken from the same dataset, resulting in the omission of the correct image in panel h for the Plain PDMS day 7 image. We sincerely apologize for this error. For an accurate representation, please see the corrected Fig. 3 provided here along with its original figure caption. This does not affect the validity of the statistical analyses or the overall conclusions drawn from the study. © 2025

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Silicon decorated graphene nanoplates modified anode and MnO2 interlayer as a multifunctional polysulfides barrier for advanced pre-lithiation silicon-sulfur batteries

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Journal of Physics and Chemistry of Solids 2025年 205卷

作者： Aslfattahi, Navid Kiai, Maryam Sadat Baydogan, Nilgun Samylingam, Lingenthiran Kadirgama, Kumaran Kok, Chee Kuang Department of Fluid Dynamics and Thermodynamics Faculty of Mechanical Engineering Czech Technical University in Prague Prague166 07 Czech Republic Center for BioNano Interactions School of Chemistry University College of Dublin Belfield Dublin 4 Ireland Nano-Science and Nano-Engineering Program of Science Engineering and Technology Istanbul Technical University Istanbul34469 Turkey Energy Institute Ayazaga Campus Istanbul Technical University Maslak Istanbul Turkey Center for Advanced Mechanical and Green Technology Center of Excellence for Robotics & Sensing Technologies Faculty of Engineering and Technology Multimedia University Jalan Ayer Keroh Lama Bukit Beruang Melaka75450 Malaysia Faculty of Mechanical & Automotive Engineering Technology University Malaysia Pahang Al-Sultan Abdullah Pekan Pahang 26600 Malaysia Centre for Research in Advanced Fluid and Processes University Malaysia Pahang Al-Sultan Abdullah Pekan Pahang 26600 Malaysia Chennai Institute of Technology Chennai India

The development of advanced anodes with high capacity and excellent high-rate cycling performance for next generation of sulfur-based batteries has emerged as a significant area of research. In this study, we present a straightforward approach to design and fabricate silicon/graphene nanoplates using a one-step hydrothermal method. Notably, a pomegranate-like structure is achieved in the silicon/graphene nanoplates (Si/GNP) spheres, with distinctive porous pomegranate architecture not only enhances the electrical conductivity of the active silicon but also accommodates substantial volume changes during cycling. Additionally, to enhance redox reactions and hinder shuttle effect, GNP/MnO2 composites is investigated as an interlayer. The MnO2 particles are in-situ grown on the surface of the GNP. The metal oxide MnO2 can enhance chemical adsorption during the electrochemical cycles. As a result, the cell with GNP/MnO2interlayer and Si/GNP anode spheres exhibit remarkable cycling stability, delivering capacity retention of 986 mAh g−1 after 300 cycles, indicating a commendable cycling performance. The cell performance was investigated across different current densities. Notably, substantial discharge capacities of 831 and 719 mAh g−1 were attained even at 2C and 5C current densities. The synthetic approach we have developed presents an innovative route for high-performance practical anodes and interlayers intended for electrochemical energy storage applications. © 2025 Elsevier Ltd

关键词： Redox reactions

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