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Verified CAS / Academic Author8 Decoded Studies

Prof. Sha Liu

Great Bay University; Shenzhen University

Research Publications & English Decoded Briefs

Showing 8 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4210-6

Aza-Pyran Molecular Design for Low-Energy-Loss Organic Solar Cells: Achieving 19.86% Efficiency via Energetic Disorder Regulation

Achieving low-energy-loss organic solar cells requires precise regulation of energetic disorder and intermolecular packing, which remains challenging at the molecular design level. Here, we report an aza-pyran-type molecular design strategy that integrates a sp3-hybridized nitrogen-centered core with a pyran structural motif to regulate aggregation behavior and energetic disorder in non-fullerene acceptors. Two representative acceptors, D10 and D11, are developed, both exhibiting broadened absorption and high open-circuit voltages, while D10 shows more balanced aggregation and improved long-range molecular ordering. When incorporated as guest acceptors into the PM6:L8-BO system, the optimized ternary device achieves a power conversion efficiency of 19.86% with a high VOC of 0.89 V. Detailed optoelectronic analyses reveal reduced non-radiative energy loss (ΔE3 ≈ 0.23 eV), enhanced electroluminescence quantum efficiency (~1.17 × 10-4), and lowered energetic disorder (EU = 25 meV) in the ternary blends. GIWAXS and charge-transport studies further demonstrate that the introduction of D10 promotes enlarged crystalline domains and more ordered π-π stacking, facilitating balanced carrier transport and suppressed recombination. This work establishes an effective molecular design paradigm that links aza-pyran molecular engineering with energy-loss management, providing new insights into the development of high-efficiency, low-energy-loss organic solar cells.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4359-0

Thickness-Insensitive A-D-A-A' Polymeric Cathode Interlayer for High-Efficiency Organic Solar Cells

Organic solar cells (OSCs) require cathode interlayers (CILs) that combine high charge transport, defect passivation, and thickness insensitivity for scalable manufacturing. Here, we report the synthesis of a novel A-D-A-A'-type polymer, PDPP2F-NDI-N, via the green and efficient direct arylation polymerization (DArP) method. The multiple electron-deficient units in the backbone confer strong electron-withdrawing character, effective work function modulation, enhanced built-in potential, high crystallinity, and ordered molecular packing. PDPP2F-NDI-N exhibits a high electron mobility of 1.01 × 10⁻³ cm² V⁻¹ s⁻¹ and electrical conductivity of 3.13 × 10⁻³ S m⁻¹, facilitating efficient charge extraction and transport. Its interfacial modification capability suppresses interfacial defects and reduces non-radiative recombination losses. In ternary OSCs, PDPP2F-NDI-N achieves a high power conversion efficiency (PCE) of 20.44%, with outstanding thickness insensitivity retaining 92.8% of peak PCE at a 30 nm CIL thickness, and a T80 lifetime exceeding 1700 hours under photo-thermal aging. This work demonstrates that poly(A-D-A-alt-A') backbone design combined with DArP synthesis provides an effective strategy for developing high-performance, thickness-insensitive, and stable polymeric CILs, advancing efficient, stable, and scalable OSC applications.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4394-x

Self-Assembly Growth of Single-Crystal Spiral Graphene on Liquid Heterogeneous Substrates

Spiral graphene, characterized by Bernal-stacked layers and unique electronic properties, holds promise for advanced quantum and optoelectronic devices. However, its controlled synthesis remains challenging. Here, we report the self-assembly growth of single-crystal spiral graphene on a liquid heterogeneous substrate via chemical vapor deposition (CVD). A 50-μm-thick Cu foil was placed on a Ni support and heated to 1083 °C, the melting point of pure Cu, ensuring a fully molten Cu layer on solid Ni. Growth proceeded for 30 minutes under optimized conditions. The resulting spiral graphene exhibits a uniform Bernal stacking configuration, as confirmed by transmission electron microscopy and selected-area electron diffraction. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) depth profiling and isotope-labeling experiments reveal that carbon incorporation occurs predominantly at the spiral step edges, following a self-assembly mechanism driven by the liquid substrate's dynamic surface. Control experiments on solid Cu-Ni alloys yield no spiral morphology, underscoring the critical role of the liquid phase. The liquid heterogeneous substrate facilitates rapid carbon diffusion and step-edge attachment, enabling the growth of high-quality single-crystal spirals with controlled layer number. This work provides a scalable route to synthesize spiral graphene with tailored stacking, advancing its application in twistronics and high-performance electronics.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202506020

Multi-objective optimization of high-quality lithium extraction from lepidolite roasting based on neural network coupled modeling

The rotary kiln roasting of lepidolite for lithium extraction faces challenges of unstable lithium conversion rates and high energy consumption. To address this, a multi-objective optimization method coupling improved neural network simulation with a multi-objective genetic algorithm was proposed, targeting the synergistic optimization of lithium conversion rate (TRLi) and natural gas consumption intensity (EIng). Using long-term industrial time-series data of batching parameters and kiln operating variables, back-propagation (BP) neural network and its particle swarm optimization (PSO) improved variant were developed to model TRLi and EIng. The PSO-BP model demonstrated superior accuracy in capturing the complex nonlinear relationships, reducing mean absolute percentage errors (MAPE) to 0.278 and 0.284 for TRLi and EIng, respectively. Subsequently, the non-dominated sorting genetic algorithm II (NSGA-II) was employed to construct a multi-objective optimization model, yielding a Pareto-optimal set of process parameters that maximize TRLi and minimize EIng. The results revealed that under NSGA-II optimized conditions, TRLi could be stabilized between 82.45% and 87.96%, an average increase of 3.61 percentage points over baseline operations, while EIng could be reduced to 53.7 m3 per ton of clinker. For an annual processing capacity of 3.2×105 tons of lepidolite concentrate and sulfate mixture, this corresponds to an additional 127.1 tons of lithium metal recovery, a reduction of 1,964,912 m3 in natural gas consumption, and a decrease of 3,763.84 tons in CO2 emissions annually. This study provides theoretical and technical support for the green, high-quality, and low-carbon supply of critical raw materials for the lithium battery new energy industry.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202512072

Intelligent Detection of Drainage Pipeline Defects Based on Cross-Frame Annotation and Recall Optimization

Drainage pipeline defect detection predominantly relies on closed-circuit television (CCTV) inspection, which is labor-intensive, inefficient, and prone to missed detections. Although deep learning-based object detection has been applied, it suffers from low precision, recall, and speed in practical scenarios. This study proposes an engineering-oriented detection scheme achieving high recall and low miss rates. The annotation phase employs a cross-frame strategy combining manual labeling of first and last frames with interpolation and tracking-based refinement. Data preprocessing introduces perceptual hashing to identify similar images, enhancing training efficiency. For detection, a Faster R-CNN model is enhanced with Focal Loss to focus on hard examples, defect classification and grading, and a dynamic threshold strategy to improve recall. Validated on 5,068.72 m of real pipeline data, the method achieves a recall rate exceeding 98% across 16 defect categories, a miss rate of only 2% for grade 4 defects, and a 425% improvement in per-segment detection efficiency compared to manual screening. These results demonstrate the method's effectiveness in balancing recall, miss rate, and speed for engineering deployment.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3786-8

Dual-mode electrotunable near-infrared chiral organic synaptic photodiodes for intelligent cancer detection

Conventional cancer diagnostic techniques, such as tissue sampling and microscopy, are invasive and prone to misdiagnosis, driving the need for non-invasive, precise alternatives. Chiral biophotonics, exploiting circularly polarized light (CPL), offers unique polarization-selective interactions with biological tissues, enabling higher imaging contrast and molecular-level discrimination. However, current CPL detection technologies are passive and single-mode, lacking dynamic tunability and parallel processing capabilities. Meanwhile, AI-assisted diagnostics rely on separated sensing and computing units, suffering from poor integration and transmission inefficiency. Here, we report a near-infrared (NIR) chiral organic synaptic photodiode with electrically tunable dual-mode operation, enabling simultaneous CPL detection and neuromorphic processing. Under negative bias, the device operates as a highly sensitive CPL detector for chiroptical signal acquisition. Under positive bias, it exhibits history-dependent synaptic behavior with photocurrent dissymmetry factor (g_ph) dynamically tunable up to -0.06. By integrating this device into an optical convolutional neural network (OCNN), we achieved intelligent cancer detection with CPL-based imaging. Experimental results demonstrate that CPL detection accuracy reaches 83%, approaching the theoretical 87%, significantly outperforming natural light detection at 65%. The device enhances image contrast and feature extraction, laying a foundation for intelligent, adaptive diagnostic systems.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3981-7

Phase-Purity Engineering in Quasi-2D Perovskites for Amplified Spontaneous Emission

Solution-processable quasi-2D perovskites are promising laser gain media due to their high exciton binding energy and improved stability relative to 3D counterparts. However, conventional synthesis yields mixed n-value phases, introducing interfacial defects and energetic disorder that impede charge injection into desired emission centers. Here, we report the first demonstration of stimulated emission from a phase-pure quasi-2D perovskite (n=8) achieved via a solvent-sieving method for selective phase removal. This dynamic purification yields near-unity phase purity (99.85%) with no detectable low-n phases, as confirmed by X-ray diffraction and ultraviolet-visible spectroscopy. The phase-pure film exhibits a narrower and more intense (001) diffraction peak (FWHM 0.16 nm, intensity 16,129) compared to pristine films (FWHM 0.22 nm, intensity 3,304), indicating enhanced crystallinity and increased grain size. Time-resolved photoluminescence reveals a prolonged carrier lifetime of 6.98 ns, suggesting reduced trap density. Atomic force microscopy shows a nearly pinhole-free surface with root mean square roughness of 1.18 nm. Consequently, the amplified spontaneous emission threshold is reduced to 13.82 μJ cm−2, a 12.5% improvement over conventional mixed-phase films (15.8 μJ cm−2). This work provides an efficient route to pure-phase quasi-2D perovskites for low-threshold lasers.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4034-3

Active Site Concentration Steers the Reaction Pathway of CO2 Electroreduction

The local concentration and configuration of active sites critically influence the selectivity of CO2 electroreduction, yet constructing well-defined structures to probe this relationship remains challenging. Here, we report a molten salt-assisted strategy to synthesize Ce-Ov-Cu cascade catalysts with tunable configurations and relative concentrations of Cu and Ce-Ov sites. Two distinct geometries were engineered: one with dense Cu sites surrounding Ce-Ov (Cu10CeOx) and another with isolated Cu centers encapsulated by Ce-Ov (CuCe10Ox). These configurations direct key intermediates (*CHO or *COH) toward either C-C coupling or deep hydrogenation, thereby switching product selectivity. CuCe10Ox achieves a CH4 Faradaic efficiency (FE) of 61.7% at -1.6 V vs. RHE, whereas Cu10CeOx favors C2 production with a maximum FE of 61.5% at -1.4 V vs. RHE. Mechanistic studies reveal that locally concentrated Cu sites exhibit strong *CO2 binding affinity, enhancing *CO surface coverage and facilitating *CO-*COH coupling. In contrast, Ce-Ov-rich regions with isolated copper centers supply abundant *H, promoting deep protonation of *CHO toward CH4. This work provides insights into catalyst design, demonstrating that manipulating structural chemistry can guide CO2RR toward targeted products.