发表机构
Savitribai Phule Pune University; Indian Institute of Science Education and Research, Pune; Advanced Bio-Agro Tech Pvt. Ltd; Norel Nutrient Bio-Agro Tech Pvt. Ltd（萨维特里拜·普莱·浦那大学; 印度科学教育与研究学院（浦那）; 高级生物农业科技有限公司; 诺瑞尔营养生物农业科技有限公司）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本研究通过配体辅助溶胶-凝胶法合成四方相BaTiO3纳米颗粒，利用共价工程增强压电与摩擦电协同，实现高性能无铅压电纳米发电机，为自供电电子设备提供新途径。
AI 中文摘要
通过配体辅助溶胶-凝胶法合成了具有稳定四方畸变的无铅铁电BaTiO3（BTO）纳米颗粒，作为与摩擦电协同作用的高性能混合压电纳米发电机（PENGs）中的活性压电相。X射线衍射（XRD）、拉曼光谱和原子对分布函数（PDF）分析证实了在900°C退火的赝立方四方相BTO纳米颗粒（BTO-900，约54 nm）和在1200°C退火的明确四方相BTO（BTO-1200，约104 nm）。密度泛函理论（DFT）计算证实了BTO-900中增强的Ti-O共价性、更强的Ti 3d-O 2p杂化、更窄的HOMO-LUMO能隙以及改善的偶极相干性，表明其具有优异的铁电极化、压电活性和电荷保持能力。BTO-900-PDMS压电纳米发电机器件产生了约100 V的高开路电压，存储了约29 μJ的能量，并展现出优异的电容器充电性能；而优化的BTO-1200基器件则表现出更高的功率密度（约649 μW cm-2）和短路电流（约181 μA）。BTO-900的优异性能归因于增强的缺陷辅助电荷捕获、界面极化以及阻抗控制的电荷保持。通过将共价工程化四方相BTO的固有压电响应与BTO-PDMS界面处的摩擦电荷产生相耦合，这项工作确立了纳米颗粒尺寸和键合工程作为实现高输出、无铅压电纳米发电机用于自供电电子设备的有效途径。
英文摘要
Lead-free ferroelectric BaTiO3 (BTO) nanoparticles with stabilized tetragonal distortion were synthesized via a ligand-assisted sol-gel method to serve as the active piezoelectric phase in high-performance hybrid piezoelectric nanogenerators (PENGs) operating with triboelectric synergy. XRD, Raman spectroscopy, and Pair Distribution Function (PDF) analysis confirmed pseudo-cubic tetragonal BTO nanoparticle, annealed at 900°C (BTO-900, ~54nm) and well-defined tetragonal BTO annealed at 1200°C (BTO-1200, ~104nm). Density Functional Theory (DFT) calculations confirmed enhanced Ti-O covalency, stronger Ti 3d-O 2p hybridization, narrower HOMO-LUMO gap, and improved dipole coherence in BTO-900, indicating superior ferroelectric polarization, piezoelectric activity, and charge retention. BTO-900-PDMS PENG device generated a high open-circuit voltage of ~100 V and stored ~29 μJ energy, and superior capacitor-charging performance of BTO-900, while the optimized BTO-1200 based device showed a higher power density of ~649 μW cm-2 and short-circuit current of ~181 μA. The superior performance of BTO-900 was attributed to enhanced defect-assisted charge trapping, interfacial polarization, and impedance-controlled charge retention. By coupling the intrinsic piezoelectric response of covalency-engineered tetragonal BTO with triboelectric charge generation at the BTO-PDMS interface, this work establishes nanoparticle size and bonding engineering as an effective route to high-output, lead-free piezoelectric nanogenerators for self-powered electronics.
Comments25 pages, 6 figures
