@article{Qiu2026, 
author = {Jiangyuan Qiu and Hanwei Cai and Tao Yu and Weiming Zhong and Ting Wan and Rui Guo and Luyang Wang and Zaiyin Huang and Xuanwen Liu},
title = {Piezoelectric-induced ligand transformation of metal chlorides in acetonitrile for controllable synthesis of noble metal single-atom catalysts},
year = {2026},
journal = {Nano Research},
keywords = {piezoelectric effect, acetonitrile, solvent effect, single-atom catalysts, ligand transformation},
url = {https://www.sciopen.com/article/10.26599/NR.2026.94909139},
doi = {10.26599/NR.2026.94909139},
abstract = {The synthesis of single-atom catalysts (SACs) under mild conditions remains challenging due to the difficulty in controlling precursor dissociation and preventing metal atom aggregation. Here, we present a piezoelectricity-driven "strong-ligand substitution" strategy based on Pearson’s hard-soft acid-base principle. By enhancing ligand-metal and ligand-substrate interactions, we precisely regulate metal release kinetics, suppress migration, and achieve accurate anchoring of noble-metal single atoms (Au, Pt, Pd, Ru) on piezoelectric substrates (e.g., BiOCl, Bi3Ti4O12) under mild conditions. Herein, the as-prepared SACs show markedly improved TOF values: Pt1@CdS (photocatalytic H2 evolution), Pt1@BOC (piezocatalytic H2 evolution), and Pd1@Bi3Ti4O12 (ammonia-borane hydrolysis) reach 33.9, 31.4, and 5.2 times those of their respective nanoparticle references, respectively. Using H2PtCl6·6H2O as a model precursor, combined spectroscopic, mass spectrometric, NMR, and computational analyses reveal two distinct transformation pathways during piezoelectric reduction: in water, [PtCl6]2⁻ is directly reduced to nanoparticles; in acetonitrile, piezoelectric activation induces nitrogen doping of the substrate and generates ·CN radicals that partially replace chloride ligands, forming [PtCl2(CN)2]2⁻. The high dissociation energy of CN slows metal release, while strong coordination with the N-doped substrate enhances anchoring stability, synergistically promoting efficient and stable Pt single-atom dispersion. Moreover, piezocatalysis is shown to critically impact Pt species formation and single-atom deposition site selectionThis work provides a mild synthesis route and elucidates the solvent and piezoelectric catalysis synergy in single-atom formation at the molecular level.}
}