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Verified CAS / Academic Author11 Decoded Studies

Prof. Li Gao

School of Materials Science and Engineering, University of Science and Technology Beijing

Research Publications & English Decoded Briefs

Showing 11 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4203-7

Novel Cross-Linkable Blue Light Emitting Material and Its High Stability OLEDs by Solution Process

The solution process holds great promise for organic light-emitting diode (OLED) fabrication owing to its minimal material loss, simple processing and low equipment investment. However, solution-processed blue OLEDs still face the challenges of low electroluminescence efficiency and poor working stability. In this study, two new cross-linkable blue light-emitting molecules, v-4CzBn and v-5CzBn, were synthesized. They featured a multicarbazole-substituted benzonitrile donor–acceptor structure as the emitting core, with two vinyl phenyl units on the carbazole rings serving as cross-linking groups. A singlet–triplet energy gap of ΔEST ≤ 0.10 eV and a high reverse intersystem crossing rate (kRISC > 10^6 s−1) were achieved because the three-dimensionally confined covalent network structure formed through a thermal cross-linking reaction limited intramolecular motions and vibrational relaxations of luminescent units. Moreover, this structure suppressed irreversible morphological changes and structural deterioration of light-emitting units due to aggregation or crystallization, improving the light-emitting performance of the device. Nondoped solution-processed OLEDs with the structure of ITO/PEDOT:PSS/TFB/S-4CzBn/TPBi/LiF/Al exhibited blue emission with a peak at 488 nm, achieving a maximum external quantum efficiency of 12.01%, a maximum luminance of 11,141.15 cd m−2, and a T50 lifetime of 1375.66 h@100 cd m−2. This result represents the longest operational lifetime reported to date for solution-process devices with cross-linked emitting layers.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2024100805

High-Sensitivity Fluorescence Detection of Malachite Green in Aquaculture Using a Zirconium-Based Metal-Organic Framework PCN-128

A fluorescent metal-organic framework (MOF), PCN-128, was synthesized via a solvothermal method using zirconium tetrachloride (ZrCl4) as the metal source and tetrakis[4-(4'-carboxyphenyl)phenyl]ethylene (H4ETTC) as the organic linker. The resulting material exhibited regular morphology, high crystallinity, strong luminescence, and good stability. PCN-128 was employed as a fluorescent probe for the trace detection of malachite green (MG), a banned veterinary drug, in aquaculture water and freshwater fish tissue. The probe demonstrated exceptional selectivity toward MG among 13 veterinary drugs and robust anti-interference performance against 16 anions, 16 cations, and 12 additional veterinary drugs. The method achieved a broad linear detection range from 0.0 to 7.0 μmol·L−1 with a limit of detection (LOD) of 2.73 nmol·L−1. Spike-and-recovery experiments in three aquaculture water samples and one freshwater fish sample yielded recoveries between 89.80% and 113.7%, with relative standard deviations (RSD) not exceeding 2.59%. These results confirm that the developed method is accurate, reliable, and suitable for routine monitoring of MG residues in aquaculture water and aquatic products, addressing a critical gap in food safety surveillance.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3952-5

Unique Role of High-Entropy Metallic Glasses as Multifunctional Electrocatalytic Materials

High-entropy alloys (HEAs) and metallic glasses (MGs) are promising electrocatalysts but suffer from inherent limitations: HEAs lack corrosion resistance and uniform surfaces due to their crystalline nature, while MGs have limited compositional flexibility, restricting active-site diversity and electronic-structure tuning. High-entropy metallic glasses (HEMGs) integrate the structural disorder of MGs with the multi-principal-element chemistry of HEAs, offering a unique combination of robust corrosion resistance, homogeneous surfaces, and abundant tunable active sites. Using Pd20Pt20Cu20Ni20P20 as a model HEMG, we investigate its electrocatalytic performance for alcohol oxidation and hydrogen evolution. The HEMG exhibits superior activity and stability compared to conventional HEAs and MGs, attributed to its disordered structure and high configurational entropy, which promote optimized adsorption energies and accelerated charge transfer. This work bridges the performance gap between HEAs and MGs, demonstrating HEMGs as multifunctional electrocatalytic materials with potential for industrial applications.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3867-1

A New Era of 2D Semiconductors: From Lab to Fab

The pursuit of atomically thin semiconductors has long promised a new era in nanoelectronics. Among them, two-dimensional (2D) transition metal dichalcogenides (TMDCs), such as MoS2 and WSe2, have emerged as leading candidates for sub-1 nm transistor channels due to their ability to mitigate short-channel effects, positioning them as promising contenders for sustaining Moore's Law. However, industrial-scale application of these 2D semiconductors remains limited by a fundamental bottleneck: the scalable growth of high-quality single-crystal TMDC wafers. Conventional chemical vapor deposition (CVD) methods typically produce polycrystalline films containing mirror-twin domains and grain boundaries, which induce non-uniform carrier scattering and severely degrade electronic performance. Consequently, achieving precise control over grain boundaries and realizing wafer-scale single-crystalline 2D films is essential for the development of next-generation integrated circuits and high-performance electronic devices. Very recently, Wang and his collaborators reported a universal and robust epitaxial strategy that realizes wafer-scale growth of single-crystal TMDCs, specifically MoS2, WS2, MoSe2, and WSe2 semiconductors, on 150-mm wafers for the first time. This remarkable achievement bridges the long-standing gap between laboratory-scale synthesis and semiconductor foundry compatibility, marking a historic milestone in the evolution of 2D semiconductors 'from lab to fab'. The core innovation lies in atomic-scale interface engineering. Conventional c-plane sapphire (α-Al2O3) substrates possess a near-central-inversion symmetric surface, leading to two energetically degenerate, antiparallel orientations of TMDC domains. This symmetry inevitably causes twin boundaries. Wang's team overcame this symmetry constraint by introducing a monolayer of lanthanum (La) to passivate the sapphire surface. The La atoms induce surface reconstruction, reducing the symmetry from P3 to P1, and amplify the energy difference between antiparallel domains by nearly two orders of magnitude, thereby enabling unidirectional epitaxial alignment and the elimination of grain boundaries across the entire 150-mm wafer. Using this strategy, Wang's group successfully achieved 150-mm single-crystal wafers of MoS2, WS2, MoSe2, and WSe2 semiconductors grown by both thermal CVD and metal-organic CVD (MOCVD) methods. Wafer-scale second-harmonic generation (SHG), Raman, and photoluminescence (PL) mappings confirmed the excellent uniformity and quality of the films.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4162-0

Remarkable roles of electron-rich Mo and electron-deficient Ni active pairs in MoN/Ni heterostructures in promoting efficient urea oxidation reaction

The urea oxidation reaction (UOR) offers a low-energy pathway for hydrogen production via water electrolysis, but Ni-based catalysts suffer from Ni self-oxidation reaction (NSOR) that wastes energy and poisons active sites via strong CO2 adsorption. Here, we design MoN/Ni heterostructures to optimize the electronic structure of Ni sites, suppressing NSOR. X-ray photoelectron spectroscopy and X-ray absorption spectroscopy confirm the formation of electron-rich Mo and electron-deficient Ni active pairs. In-situ spectroscopy, electrochemical tests, and density functional theory calculations reveal that electron-rich Mo sites enhance urea adsorption, while electron-deficient Ni sites prevent NSOR, facilitating urea activation, intermediate conversion, and CO2 desorption. The synergistic effect yields a current density of 100 mA cm−2 at only 1.39 V vs. RHE in 1 M KOH + 0.33 M urea, outperforming many NiOOH-based catalysts. This work introduces a novel high-performance catalyst with electron-rich/electron-deficient active pairs for efficient UOR.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4072-3

Record Efficiency of 20.01% in HTM-Free Carbon-Based CsPbI3 Perovskite Solar Cells Achieved by TEPM Multifunctional Additive

All-inorganic, hole-transport-material-free (HTM-free), carbon-based perovskite solar cells (C-PSCs) have attracted significant attention due to their exceptional stability and low cost. However, their performance and commercial potential are constrained by poor interfacial contact, insufficient crystallinity, and energy level misalignment. In this work, we address these challenges via a molecular engineering strategy by introducing tetrakis(4-ethynylphenyl)methane (TEPM) as a multifunctional additive. The alkynyl moiety (C≡C) in TEPM coordinates with Pb2+ ions in perovskite precursors, synergistically slowing crystallization kinetics to regulate crystal growth and passivate deep-level defects. Consequently, CsPbI3 films exhibit larger grain sizes, improved crystallinity, and lower defect densities. Devices modified with TEPM achieved a record power conversion efficiency (PCE) of 20.01% (certified 19.58%). Additionally, unencapsulated devices retained 87.6% of their initial efficiency after 1080 h under ambient conditions (25 °C, 30% relative humidity), and maintained 94.0% of their initial efficiency after 730 h of continuous AM 1.5G illumination in air. This work sets a new efficiency benchmark for inorganic HTM-free C-PSCs and provides a versatile molecular engineering strategy for developing high-performance, stable perovskite photovoltaics.

SCIENCE CHINA Materials2025DOI: 10.1007/s40843-025-3471-2

Strain Technology of Two-Dimensional Semiconductors for Industrial Electronics

Two-dimensional (2D) semiconductors, particularly transition metal dichalcogenides (TMDs), are leading candidates for post-silicon electronics due to their atomic-scale thickness, superior electrostatic control, and high strain tolerance. Strain engineering, which has historically extended silicon CMOS scaling from 90 nm to 22 nm nodes by enhancing carrier mobility, is now being adapted for 2D materials. This review benchmarks strained silicon technology and systematically evaluates strain methodologies for 2D semiconductors, including lattice mismatch, thermal expansion coefficient mismatch, substrate-induced stress, and process-induced stress. The analysis identifies critical limitations in current approaches, such as strain relaxation, defect generation, and integration incompatibilities, that impede industrial adoption. Key experimental findings from the literature are synthesized, revealing that uniaxial strains up to 3% can tune bandgaps in MoSe2 and MoS2, while biaxial strains of 1-2% significantly enhance mobility. However, strain non-uniformity and thermal budget constraints during device fabrication remain unresolved. The review proposes development directions for strain technology that align with industrial requirements for 3D integration, including gate-all-around and complementary field-effect transistors. Emphasis is placed on scalable, CMOS-compatible processes that achieve precise strain control without compromising material quality. This work provides a strategic framework for transitioning 2D strain engineering from laboratory demonstrations to high-volume manufacturing, addressing the performance and reliability demands of future electronics.

SCIENCE CHINA Materials2025DOI: 10.1007/s40843-025-3463-x

Immune-Activating Cationic Lipo-Polypeptides for Oncolytic Immunotherapy in Triple Negative Breast Cancer

Triple negative breast cancer (TNBC) exhibits an exceptionally low responsiveness to immunotherapy due to its immunologically cold tumor microenvironment (TME), characterized by poor T-cell infiltration and abundant immunosuppressive cells. We synthesized a series of immune-activating lipo-polylysines (IAP-1 to IAP-9) with varying carbon chain and polylysine segment lengths, and evaluated their oncolytic and immunogenic cell death (ICD)-inducing activities. Both activities are structure-dependent. IAP-4 demonstrated the most potent oncolytic and ICD-inducing capabilities in 4T1 tumor cells, inducing necrosis via membrane lysis and mitochondrial damage, and triggering ICD as evidenced by calreticulin exposure, ATP secretion, and HMGB1 release. In vivo, IAP-4 remodeled the TME by enhancing cytotoxic T lymphocyte infiltration and reducing immunosuppressive components, converting cold tumors to hot. This led to inhibition of primary tumors, suppression of recurrence and metastasis, and establishment of antitumor immune memory. This drug-free strategy offers a promising approach for TNBC immunotherapy, with structure-activity relationships providing a framework for designing next-generation oncolytic agents.

SCIENCE CHINA Materials2025DOI: 10.1007/s40843-025-3424-6

Growth of wafer-scale two-dimensional ferroelectric CuCrS2 films

Two-dimensional ferroelectrics with high Curie temperature (Tc) enable stable ferroelectricity at the nanoscale, critical for miniaturized nonvolatile memory and in-memory computing. However, wafer-scale growth of 2D ferroelectric films with controlled thickness remains a bottleneck. This work reports a two-step vapour deposition method to grow wafer-scale 2D CuCrS2 ferroelectric films with uniform thickness from 2 to 10 nm. The films exhibit a non-centrosymmetric 3R stacking sequence, confirmed by second-harmonic generation (SHG) showing six-fold rotational symmetry. Ferroelectric polarization is demonstrated via hysteresis loops that strengthen with increasing temperature, attributed to ionized Cu movement above 200 K. The Tc exceeds room temperature, ensuring ferroelectric stability. Vertical memristor devices fabricated with 200 nm Au electrodes exhibit typical LRS-LRS memristor characteristics and robust hysteresis loops across multiple locations. The method is extended to CuCrSe2 films (7.8 nm thick) with Raman peaks at ~146 and 220 cm−1, confirming reproducibility. This work establishes a scalable route for integrating 2D ferroelectrics into next-generation electronic devices.

SCIENCE CHINA Materials2025DOI: 10.1007/s40843-025-3638-2

Star-shaped cross-linkable hole transport materials with high triplet energy and deep HOMO energy enable efficient solution-processed deep-blue TADF OLEDs

Solution-processed organic light-emitting diodes (OLEDs) face interlayer miscibility issues that degrade efficiency and lifetime. Cross-linkable hole transport materials (x-HTMs) with solvent resistance address this, but deep-blue OLEDs require high triplet energy (ET) and deep HOMO levels to confine excitons and facilitate hole injection. Two star-shaped x-HTMs, m-V-CzDPA and m-V-DPADPA, were designed with aromatic torsion structures yielding ET of 2.89 and 2.87 eV, respectively. Carrier diffusion coefficients of 0.54 and 0.44 cm2 s−1 and hole mobilities of 4.30×10−4 and 1.39×10−4 cm2 V−1 s−1 were measured. Solution-processed deep-blue TADF-OLEDs using x-m-CzDPA achieved maximum current efficiency of 5.25 cd A−1 and external quantum efficiency of 18.06% with CIE coordinates (0.162, 0.042), meeting BT.2020 standard (CIE y ≤ 0.046). This represents the first demonstration of x-HTMs enabling efficient deep-blue TADF-OLEDs via solution processing.

SCIENCE CHINA Materials2025DOI: 10.1007/s40843-025-3488-3

Lone-pair Bi dopants surpass Sb in orbital-defect synergistic regulation for enhanced radiative recombination in AgInS2

AgInS2, a representative I–III–VI2 chalcogenide, has garnered significant attention due to its tunable electronic structure, nontoxic nature, and air stability. However, its practical application is hindered by severe nonradiative recombination losses induced by deep-level InAg antisite defects, which act as carrier trapping centers. While Sb and Bi doping have been shown to suppress defect states in CuInS2, their impact on AgInS2 remains unexplored. This study systematically investigates Sb and Bi doping in AgInS2 from the perspectives of electronic orbitals interactions and defect regulation. Under S-rich, In-poor, and Ag-moderate conditions, the formation energy of InAg defects increases, thereby reducing their concentration. SbIn and BiIn emerge as dominant dopant-induced defects, yet they exhibit distinct effects on carrier recombination. Sb doping introduces deep-level states at 1.08 eV below the conduction band minimum through strong Sb–S antibonding interactions, exacerbating nonradiative recombination losses while reducing the radiative recombination coefficient by three orders of magnitude to 1.36×10−16 cm3/s versus intrinsic AgInS2’s 9.63×10−13 cm3/s. In contrast, BiIn defects remain neutral across the Fermi level range, with Bi doping demonstrating superior defect tolerance that effectively suppresses deep-level states and promotes radiative recombination. This enhances the radiative recombination coefficient by one order of magnitude to 1.27×10−12 cm3/s. This study offers critical insights into lone-pair electron effects in Ag-based chalcogenides, contributing to the advancement of sustainable and high-efficiency optoelectronic materials.