Aug 2026· ACS Applied Electronic Materials· Vol 8, pp. 7135-7142· 0 citations· 32 references
Abstract
Bismuth layer-structured ferroelectrics (BLSFs) are critical candidates for high-temperature piezoelectric applications, yet their inherently low piezoelectric activity (d33) restricts their practical implementation. In this study, a machine-learning-guided strategy was employed to rationally design multisite Li+/Ce3+ and W6+ codoped (Na0.5Bi2.5)Nb2O9 piezoceramics. Using Random Forest algorithm, we efficiently screened a large virtual composition space and identified the optimal doping window. The optimized composition exhibits a high d33 of 30 pC/N, markedly enhanced compared with the 16 pC/N of the pure composition, while retaining an ultrahigh Curie temperature (TC) of 776 °C and excellent thermal stability. Structural analyses reveal that multisite doping increases local polar disorder, which drives a significant reduction in domain size, drastically lowering the energy barrier for domain switching. Ultimately, this work successfully delivers a high-performance material for high-temperature piezoelectric devices while providing an AI-assisted paradigm for the targeted design of bismuth layer-structured ceramics.
The promising outcomes from numerical and machine learning approaches will eventually provide feasible directions to fabricate high efficiency CFTS based PV cells in the near future.
Md Anwer Hossain, Shaelseya Dewan Chakma, Sakhawat Hussain· Semiconductor Science and Te...· 0 citations
Background: The structural and electrical properties of Pb-free calcium titanate (CaTiO3) nanoceramics were investigated using a combined experimental and machine learning approach. Methods: X-ray diffraction analysis with Rietveld refinement revealed the formation of an orthorhombic perovskite phase with the Pnma spac...
Dheeraj Kumar, Subhash Chandra Pandey, P. Kour· Digest Journal of Nanomateri...· 0 citations
The proposed hybrid framework demonstrates a robust and computationally efficient pathway for designing high-efficiency perovskite solar cells, while highlighting the critical role of MXene-assisted interface engineering in enhancing device performance and defect tolerance.
Sayandeep Biswas, M. Shahnawaz, Pallab Debnath et al.· Optical and quantum electron...· 0 citations
Hafnium oxide (HfO2) is the cornerstone high-k dielectric in modern silicon technology. Since the constraints of silicon device fabrication rule out replacing the material itself, dopant incorporation is the principal means available to engineer its band gap and dielectric constant within existing process flows. Howeve...
Zunair Masroor, B. Gu, Wonjoong Kim et al.· 0 citations
Ruddlesden-Popper phases are highly tunable and naturally layered structures, in which polarization can arise via a hybrid improper ferroelectric mechanism. This enables a complex domain wall (DW) structure where multiple order parameters, like octahedral rotations, polar distortions and strain, interact. In this work,...
Ida C. Skogvoll, E. Fransson, Leo Ö. Westin et al.· 0 citations
An interpretable machine learning framework based on Shapley Additive exPlanations is developed to guide the compositional design of K0.5Na0.5NbO3-based relaxor ferroelectrics, leading to Sc as the optimal dopant, outperforming the Bi5/6In0.5Sn0.5O3-doped system.
Liang-Zhe Chen, Lei Cao, Zishan Jin et al.· Small· 0 citations
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