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    EXPLORING AND PROPERTY ENHANCING OF INORGANIC FUNCTIONAL COMPOUNDS
    Ling Chen1;
    1BEIJING NORMAL UNIVERSITY, Beijing, China;
    PAPER: 382/SolidStateChemistry/Regular (Oral) OS
    SCHEDULED: 14:50/Tue. 28 Nov. 2023/Dreams 4



    ABSTRACT:

    Our research primarily focuses on the exploratory syntheses of inorganic solid functional compounds, aiming to unravel the intricate relationships between crystallographic structures and their corresponding macroscopic properties, notably nonlinear optical (NLO) phenomena, second-harmonic generations [1-5] and thermoelectric properties [6-10]. For example, we have developed the first monofluorophosphates exhibiting excellent second-harmonic generation capabilities,[1, 2] along with pioneering advancements in inorganic solid state NLO switch materials with a linearly tunable Tc. [3]

    Additionally, we have proposed a novel design theory based on π conjugation confinement structures for achieving deep ultraviolet second-harmonic generation compounds [4]. Furthermore, our investigations into chalcogenides have uncovered the intriguing band structure engineer bucket effect that severs as a guideline for exploratory synthesis of novel chalcogenide with a desired band gap. [5] We have explored various thermoelectric compounds, such as CsCu5Se3, KCu5Se3, Ag9GaSe6, among others. Our findings have shed light on the profound influence of complex structures featuring soft- and rigid-sublattices, multiple coordination spheres, and mixed valence states, ultimately leading to reduced lattice thermal conductivity. For instance, the interlayer π-bond interactions in Bi8Se7 have demonstrated a substantial increase in carrier mobility along the direction of structure stacking. [6-10] 



    References:
    [1] [1] Lu, J.; Yue, J. N.; Xiong, L.; Zhang, W. K.; Chen, L.; Wu, L. M. Uniform Alignment of Non-π-Conjugated Species Enhances Deep Ultraviolet Optical Nonlinearity. J. Am. Chem. Soc. 2019, 141, 8093−8097.<br />[2] Pan, C. Y.; Yang, X. R.; Xiong, L.; Lu, Z. W.; Zhen, B. Y.; Sui, X.; Deng, X. B.; Wu, L. M.; Chen, L. Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable Tc. J. Am. Chem. Soc. 2020, 142, 6423−6431.<br />[3] Yang, Y. C.; Liu, X.; Zhu, C. F.; Zhu, L.; Wu, L. M.; Chen, L. Inorganic Solid-State Nonlinear Optical Switch with a Linearly Tunable Tc Spanning a Wide Temperature Range. Angew. Chem. Int. Ed. 2023, 62, e202301404.<br />[4] Xiong, L.; Wu, L. M.; Chen, L. A General Principle for DUV NLO Materials: π-Conjugated Confinement Enlarges Band Gap. Angew. Chem. Int. Ed. 2021, 60, 25063–25067.<br />[5] Liu, Q. Q.; Liu X.; Wu, L. M.; Chen, L. SrZnGeS4: A Dual-Waveband Nonlinear Optical Material with A Transparency Spanning UV–Vis and Far-IR Spectral Regions. Angew. Chem. Int. Ed. 2022, 61, e202205587.<br />[6] Jia, F.; Liu, Y. Y.; Zhang, Y. F.; Shu, X.; Chen, L.; Wu, L. M. Bi8Se7: Delocalized Interlayer π Bond Interactions Enhancing Carrier Mobility and Thermoelectric Performance Near Room Temperature. J. Am. Chem. Soc. 2020, 142, 12536−12543.<br />[7] Ma, N.; Li, Y. Y.; Chen, L.; Wu, L. M. α‑CsCu5Se3: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance. J. Am. Chem. Soc. 2020, 142, 11, 5293-5303.<br />[8] Ma, N.; Li, F.; Li, J. G.; Liu, X.; Zhang, D. B.; Li, Y. Y.; Chen, L.; Wu, L. M. Mixed-Valence CsCu4Se3: Large Phonon Anharmonicity Driven by the Hierarchy of the Rigid [(Cu+)4(Se2−)2](Se−) Double Anti-CaF2 Layer and the Soft Cs+ Sublattice. J. Am. Chem. Soc. 2021, 143, 18490−18501.<br />[9] Li, F.; Liu, X.; Ma, N.; Yang, Y. C.; Yin, J. P.; Chen, L.; Wu, L. M. Overdamped Phonon Diffusion and Nontrivial Electronic Structure Leading to a High Thermoelectric Figure of Merit in KCu5Se3. J. Am. Chem. Soc. 2023, 145, 14981−14993.<br />[10] Liu, J. Y.; Chen. L.; Wu, L. M. Ag9GaSe6: High-Pressure-Induced Ag Migration Causes Thermoelectric Performance Irreproducibility and Elimination of Such Instability. Nat. Commun. 2022, 13, 2966.