In this study, we investigate the crystal structure, surface energy, and atomic arrangement of Cu2O. Understanding these properties is crucial for exploring the potential applications and understanding the behavior of this material. We employ the Wulff construction method and an artificial neural network (ANN) model to analyze the relative surface energies of different crystal facets and predict the surface energy of Cu2O. The ANN model exhibits excellent performance, demonstrating its effectiveness in predicting material properties and providing automated feature-learning and nonlinear-modeling capabilities. Moreover, we analyze the atomic arrangements on various crystal facets and observe the presence of oxygen atoms on the {100} facet, as well as exposed under-coordinated copper atoms on the {111} and {110} facets. High-index facets such as {211} exhibit a higher atomic step density and screw dislocation density. By precisely controlling the synthesis process, it is possible to manipulate the proportion of high-index facets. These findings highlight the significance of understanding the surface energy and atomic arrangement of Cu2O crystals for comprehending their properties and surface reactions. In summary, this study provides valuable insights into the crystal structure, surface energy, and atomic arrangement of Cu2O, offering inspiration for its properties and potential applications. The combination of the Wulff construction method and ANN modeling provides a comprehensive understanding of Cu2O crystals and their surface behavior, contributing to the field of materials science and laying the foundation for various future applications utilizing the unique properties of Cu2O.
To enhance the corrosion resistance, adhesion strength, and electrical conductivity of bipolar plates for proton exchange membrane fuel cells (PEMFCs), a duplex surface treatment comprising plasma nitriding (PN) followed by arc ion plating of a TiN coating was applied to 316L stainless steel. The duplex coating exhibited a bilayer structure with a TiN top layer (~1.3 μm) and a nitrided diffusion layer (~9.2 μm). Compared with a single TiN coating, it showed superior corrosion resistance in both cathode and anode environments, with corrosion current densities of 0.069 and 0.422 μA·cm−2, respectively, and maintained stable performance over 10,000 s of potentiostatic polarization. Its interfacial contact resistance at 140 N·cm−2 was 7.84 mΩ·cm2, below the Department of Energy (DOE) 2025 target of 10 mΩ·cm2. The water contact angle also increased, benefiting water management. The nitrided interlayer substantially enhanced the adhesion strength of the TiN coating. These findings confirm that the sequential combination of plasma nitriding and TiN coating is an effective strategy for improving the corrosion resistance, electrical conductivity, and adhesion of stainless steel bipolar plates for PEMFC applications.