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Cu-Ni Oxidation Mechanism Unveiled: A Machine Learning-Accelerated First-Principles and TEM Study.
Nano Lett
January 2025
Department of Mechanical Engineering & Materials Science, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States.
The development of accurate methods for determining how alloy surfaces spontaneously restructure under reactive and corrosive environments is a key, long-standing, grand challenge in materials science. Using machine learning-accelerated density functional theory and rare-event methods, in conjunction with environmental transmission electron microscopy (ETEM), we examine the interplay between surface reconstructions and preferential segregation tendencies of CuNi(100) surfaces under oxidation conditions. Our modeling approach predicts that oxygen-induced Ni segregation in CuNi alloys favors Cu(100)-O c(2 × 2) reconstruction and destabilizes the Cu(100)-O (2√2 × √2)45° missing row reconstruction (MRR).
View Article and Find Full Text PDFBackground: Hepatitis C virus (HCV) and hepatitis B virus (HBV) infections pose significant global health concerns, contributing to chronic liver diseases. Blood transfusion is identified as a potential route for the transmission of these viruses, necessitating effective screening strategies for blood donors. The aim of this study was to assess the significance of nucleic acid testing (NAT) in detecting HBV and HCV infections among blood donors who initially tested negative in serological tests.
View Article and Find Full Text PDFPt ( = 1, 3, and 4) Cluster-Modified MoSe Nanosheets: A Potential Sensing and Scavenging Candidate for Lithium-Ion Battery State Characteristic Gases.
Langmuir
January 2025
State Key Laboratory of Power Transmission Equipment Technology, School of Electrical Engineering, Chongqing University, Chongqing 400044, China.
Realizing reliable online detection of characteristic gases (H, CH, CO, and CO) in lithium-ion batteries is crucial to maintain the safe and stable operation of power equipment and new energy storage power plants. In this study, transition metal Pt ( = 1, 3, and 4) clusters are attached to MoSe nanosheets for the first time based on density functional theory using the perfect crystalline facet modification method, and the adsorption characteristics and electronic behaviors of H, CH, CO, and CO are investigated and enhanced. The results show that Pt ( = 1, 3, and 4) is reliably chemically connected to the substrate without any significant deformation of the geometry.
View Article and Find Full Text PDFSonochemical synthesis of CQDs from coffee husk: Insights in aggregation mechanism, optimization and sustainability analysis.
Heliyon
January 2025
Transmission Electronic Microscopy Laboratory, Electronic Microscopy Unit, Department of Biology, University of Cauca, Popayán, 190002, Colombia.
A green methodology for the synthesis of carbon quantum dots (CQDs) from coffee husk without the use of any toxic solvents is proposed in this work. Sonochemical exfoliation of biochar, obtained from the thermal carbonization of coffee husk (from a certified coffee seeds) at low temperature in an air-restricted atmosphere, is described as an alternative procedure for the sustainable production of CQDs. The synthesized CQDs exhibited blue fluorescence with a strong maximum emission band at 410 nm when excited at a maximum absorption wavelength of 330 nm.
View Article and Find Full Text PDFSynthesis, characterization, and application of MnFeO/FeVO/modified zeolite nanocomposite as an effective photocatalyst for methylene blue degradation and benzothiophene desulfurization.
Heliyon
January 2025
Department of Nanotechnology, Faculty of New Sciences and Technologies, Semnan University, Semnan, Iran.
This study details the synthesis of a novel ternary nanocomposite composed of MnFeO, FeVO, and modified zeolite, achieved through a two-step process. The initial step involved the hydrothermal synthesis of the MnFeO/FeVO composite, followed by its application onto modified zeolite using ultrasonic waves. The synthesized nanocomposite was thoroughly characterized using a range of analytical techniques.
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