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LZ
Verified CAS / Academic Author3 Decoded Studies

Prof. LI Zehao

Harbin Institute of Technology (Shenzhen), Tsinghua Shenzhen International Graduate School, Tsinghua University

Research Publications & English Decoded Briefs

Showing 3 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4452-8

Efficient Ultranarrow-Band Red Eu³⁺ OLEDs Enabled by Modulated Energy Transfer and Charge Transport

Europium(III) complexes offer intrinsically narrow red emission (full-width at half-maximum < 5 nm) that is highly desirable for ultrahigh-definition displays, yet their electroluminescence performance is severely limited by unbalanced charge transport and inefficient energy transfer. This work reports a molecular design strategy that modulates both energy transfer and charge transport in Eu³⁺ OLEDs. The synthesized complex, Cz-Eu, incorporates a carbazole-functionalized ancillary ligand to facilitate host–guest energy transfer and hole transport. The single-crystal structure was deposited (CIF: Cz-Eu-cif.cif) and subjected to PLATON validation, which flagged 3 type-1 alerts (CIF construction/syntax errors), 8 type-2 alerts (possible structural model deficiencies), 12 type-3 alerts (low structure quality), and 4 type-4 alerts (improvement suggestions), with no duplication detected. These crystallographic alerts indicate that the reported structure requires further refinement before it can be considered reliable. Nevertheless, the device metrics demonstrate a promising route: the optimized OLED achieves efficient ultranarrow-band red emission, with the potential for high color purity and reduced power consumption. The findings underscore the critical role of ligand engineering in balancing charge fluxes and fostering efficient energy transfer, providing a viable pathway for next-generation red emitters. However, the structural ambiguities highlighted by the PLATON analysis warrant cautious interpretation of the structure–property relationships and suggest that additional crystallographic and device stability studies are necessary to substantiate the claimed performance.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3407-0

Engineering MgAg alloy segregation at grain boundary for enhanced room-temperature n-type Mg3(Sb,Bi)2-based thermoelectrics

Grain boundary (GB) engineering has emerged as a promising strategy to enhance the near-room-temperature performance of Mg3(Sb,Bi)2-based thermoelectric materials, yet effective control of Mg distribution at GBs remains a significant challenge. Here, we report a novel approach to achieve targeted Mg segregation at GBs through strategic Ag incorporation in Mg3.3Sb0.5Bi1.497Te0.003. Through comprehensive microstructural characterization and first-principles calculations, we demonstrate that Ag preferentially segregates at GBs, forming Mg-rich MgAg alloy phases while maintaining limited solid solubility within the matrix. This unique GB architecture simultaneously optimizes multiple thermoelectric parameters: the Mg-rich GB regions significantly provide efficient carrier transport channels and enhance carrier mobility, while the MgAg phases and lattice disorders effectively scatter phonons without disrupting electron transport. Consequently, the optimized composition (x = 0.01) exhibits a remarkable enhancement in power factor at 300 K and maintains an average ZT of ~1.0 across 300–400 K. The material also demonstrates excellent mechanical properties and thermal stability, making it particularly suitable for near-room-temperature applications. Our findings not only establish an effective strategy for GB engineering in Mg3(Sb,Bi)2 systems but also provide valuable insights into the rational design of high-performance thermoelectric materials through interface modification.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3750-6

Achieving high thermoelectric performance in n-type polycrystalline SnSe via carrier mobility enhancement

SnSe is a promising thermoelectric material for medium-temperature applications due to its ultralow lattice thermal conductivity. However, the poor electrical conductivity of n-type polycrystalline SnSe significantly hinders its practical application. Here, we propose a dual-functional strategy employing InBr3 doping to synergistically enhance electrical transport while suppressing lattice thermal conductivity. For the first time, we demonstrate the successful construction of a Br-enriched conductive network within the SnSe matrix. The incorporation of In3+ and Br− introduces high-density charge carriers, while Br forms percolative conductive networks, resulting in a remarkable enhancement of carrier mobility to ~20.64 cm2 V−1 s−1. Simultaneously, the lattice thermal conductivity is substantially reduced to ~0.25 W m−1 K−1 through the formation of multi-scale defects, including dislocations and Br-rich nanowires, which effectively enhance phonon scattering. As a result, we achieve a peak figure of merit of ZT ~1.41 at 823 K, with an average figure of merit of ~0.42 over the temperature range of 323–823 K. This work provides a universal paradigm for decoupling electron-phonon interactions in thermoelectric materials, offering new insights for the optimization of thermoelectric performance.