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Verified CAS / Academic Author8 Decoded Studies

Prof. Xin Guo

Nanjing Tech University

Co-Affiliations:School of Materials Science and Engineering, Tsinghua UniversityCollege of Materials Science and Engineering, Hunan University

Research Publications & English Decoded Briefs

Showing 8 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3608-8

Enhanced electron delocalization in potassium poly(heptazine imide) triggered by indium sites and nitrogen defects promotes highly efficient H2O2 photosynthesis

Polymeric carbon nitride (PCN) is a promising photocatalyst for H2O2 production due to its visible-light response, low cost, and high selectivity for the two-electron oxygen reduction reaction (ORR). However, its H2O2 yield is limited by narrow light absorption, low charge separation efficiency, and insufficient active sites. Here, crystalline poly(heptazine imide) (PHI)-based carbon nitride with highly dispersed In sites and N defects was prepared via an ionothermal method using LiCl/KCl molten salts. The large π-conjugated system and N defects enhance visible-light harvesting. Remaining K+ ions in nitrogen cavities act as interlayer electron channels, while N defects induce asymmetric charge distribution on the heptazine network, promoting interlayer and in-plane charge separation and transfer. In sites accelerate charge transfer dynamics and serve as active sites for ORR. The synergistic effect of metal modification and defect engineering boosts electron delocalization, significantly improving photocatalytic activity. The H2O2 production rate of 10InPHI reaches 15.3 mmol g−1 h−1 via a two-step single-electron ORR pathway, underscoring the potential of modified carbon nitride for efficient H2O2 photosynthesis.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3747-3

Laminated self-healing thermochromic gel for visualizing thermal management

Thermochromic soft materials are flexible functional materials that adaptively tune optical properties (transmittance, reflectance, or scattering) with temperature for thermal modulation. Herein, a laminated thermochromic gel (DEE-DA) is synthesized by encapsulating a thermochromic hydrogel (DA) between two hydrophobic ionogels (DEE) in a stacked configuration. The synergy of multiple dynamic bonds endows the DEE-DA gel with exceptional mechanical properties and remarkable self-healing capability (98.8% at 30 °C). More importantly, attributed to the temperature-responsive reversible cleavage and recombination of hydrogen bonds and borate ester bonds, DEE-DA gel demonstrates tunable transmittance with a light modulation efficiency of 85.45%. In response to the various external conditions, the gel can auto-adjust the optical properties to avoid sun irradiation or heat loss. Accordingly, the gel enables efficient dual-mode thermal modulation across a broad temperature range to realize thermal management. The research proposes gel thermochromism and laminated durability enhancement for adaptive materials in smart buildings and wearables.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202507054

Adaptability of Machine Learning Prediction Models for Chlorine Consumption to Monitoring Frequency of Residual Chlorine in Wastewater Treatment Plants

In many Chinese wastewater treatment plants (WWTPs), residual chlorine is still manually monitored at low frequencies, leading to imprecise disinfectant dosing. This study systematically compared four machine learning models—backpropagation (BP) neural network, long short-term memory (LSTM) neural network, random forest (RF), and support vector regression (SVR)—for predicting chlorine consumption (i.e., the difference between chlorine dose and residual chlorine) during non-monitoring periods under different residual chlorine monitoring frequencies (every 1, 2, 4, 6, and 8 h). Using data from Plant A (equipped with online residual chlorine monitoring) and Plants B and C (manual monitoring every 6 h and 8 h, respectively), input variables included online water quality indicators (temperature, flow, NH3-N, CODCr, TP, TN) and chlorine dose. Results showed that at 1-h intervals, LSTM achieved the highest prediction accuracy; at 2–4-h intervals, RF performed best; at 6-h or lower frequencies, BP was superior; SVR performed worst across all frequencies. Validation on Plants B and C confirmed BP's optimal performance under low-frequency conditions, and particle swarm optimization (PSO) significantly improved its accuracy. These findings provide a basis for selecting appropriate machine learning models for chlorine consumption prediction under varying monitoring frequencies, particularly low-frequency manual monitoring, thereby supporting precise disinfectant dosing control.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2024122001

Research Progress on the Preparation of Iron-Based Magnetic Biochar and Its Adsorption Performance for Heavy Metals in Wastewater

Biomass is the only renewable carbon resource with huge reserves and wide sources, and it is green and environmentally friendly. Under the background of 'dual carbon', the clean and efficient utilization of biomass has received increasing attention. Preparation of biochar from biomass is one of the main methods to use biomass efficiently. Biochar surfaces possess porous and aromatic structures, which exhibit good fixation effects on heavy metals in wastewater. However, biochar has shortcomings such as difficulty in recovery and non-reusability. The introduction of iron into biochar can not only enrich surface functional groups, develop pore structure, and increase specific surface area, but also endow magnetic properties, facilitating solid-liquid separation after adsorption. This paper reviews the preparation methods of iron-based magnetic biochar (MBC-Fe), summarizes the effects of different iron sources on its characteristics, and illustrates the adsorption performance and mechanisms of MBC-Fe for typical heavy metals in water. Finally, applications of MBC-Fe in the removal of heavy metal ions from wastewater are concluded, and future utilization potential in other fields is proposed. The review highlights that MBC-Fe exhibits high adsorption capacities, e.g., for Pb(II) and Cd(II), with rapid kinetics and easy separation, making it a promising adsorbent for wastewater treatment.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3640-3

Nanodrug Engineered Bacteria for Tumor-Targeted and Synergistic Photothermal Immunotherapy

Cancer immunotherapy, particularly small-molecule immune checkpoint inhibitors (ICIs), offers low cost and high tumor diffusion but suffers from limited efficacy and systemic toxicity. Here, we engineered non-pathogenic Escherichia coli MG1655 for tumor-targeted and synergistic photothermal immunotherapy. Polydopamine (PDA) was coated onto the bacterial surface via in situ polymerization, followed by noncovalent attachment of the IDO-1 inhibitor NLG919, yielding MG1655@PDA-NLG. The functionalized bacteria retained viability and bioactivity while exhibiting outstanding photothermal conversion. In a murine CT26 colon tumor model, intravenous injection led to effective tumor accumulation within 12 h and complete clearance from major organs by 72 h, with negligible hematological toxicity, confirming hypoxic tumor-targeting and biosafety. Under near-infrared irradiation, the engineered bacteria inhibited tumor growth by over 90%, combining photothermal effect and immunogenic cell death (ICD) to promote dendritic cell maturation. This synergized with suppression of tryptophan metabolism, enhancing CD4+ and CD8+ T cell infiltration. This work demonstrates a simple, safe strategy for surface engineering of bacteria with multiple therapeutic agents, offering a promising approach for precise and combined cancer immunotherapy.

Journal of Fuel Chemistry and Technology2026DOI: 10.3724/2097-213X.2025.JFCT.0029

Effect of Calcium-Sodium Composite Flux on Ash Fusibility and Mineral Transformation of Pingshuo High Ash Fusion Temperature Coal

Pingshuo coal ash, characterized by high silicon-aluminum content (Si+Al >85%) and low Si/Al ratio (<1.5), exhibits ash fusion temperatures (AFTs) exceeding 1550 °C, rendering it unsuitable for entrained-flow gasifiers. This study investigates the effect of calcium-sodium composite flux on ash fusibility and mineral transformation. X-ray diffraction (XRD) and FactSage thermodynamic simulations were employed to analyze mineral evolution, while molecular dynamics (MD) simulations revealed the underlying melting mechanism. Results show that adding 20% composite flux (CaO/Na2O) lowers AFTs more effectively than equivalent additions of CaO or Na2O alone, indicating a synergistic effect. At a CaO/Na2O ratio of 3:7, the flow temperatures (FT) of two Pingshuo coal ashes decreased to 1377 °C and 1279 °C, respectively. The composite flux promotes reactions between quartz and Na2O/CaO, forming low-melting-point minerals such as nepheline, albite, and gehlenite, while inhibiting mullite formation. Additionally, Na+ disrupts the silicate network, inducing Ca2+ to preferentially coordinate with [AlO4]5- tetrahedra, further breaking Si-O-Si bonds. MD simulations show that atomic diffusion, quantified by mean square displacement (MSD), is significantly enhanced below 1600 K with composite flux addition compared to single fluxes. These findings provide a mechanistic basis for optimizing flux formulations to enable efficient gasification of high-AFT coals.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4074-6

AI for Electrocatalytic Energy Conversion: From Atoms to Industry

Achieving carbon neutralization relies heavily on green hydrogen and electrochemical carbon-nitrogen cycles. However, the complexity of these systems and the cost of traditional Edisonian trial-and-error methods hinder rapid progress. Artificial intelligence (AI) has emerged as a transformative tool, enabling high-throughput data processing and dynamic adaptation. This review surveys the landscape of AI-driven electrochemistry, bridging the gap from atomic-scale design to industrial-scale implementation. Specifically, we focus on three areas: atomic structure-function decoding, fully automated “self-driving” laboratories, and macro-scale simulations for device durability. Furthermore, we elucidate the critical challenges in integrating AI with materials science. By mapping current trends and future directions, this work aims to unlock the full transformative potential of AI in next-generation energy storage and conversion.

SCIENCE CHINA Materials2025DOI: 10.1007/s40843-025-3499-6

Facile synthesis of sp2-enriched hard carbon anodes for high-efficiency sodium storage

Biomass-derived hard carbons (HCs) are promising anodes for sodium-ion batteries (SIBs) due to their low cost, renewable nature, and structural stability, yet their practical application is hindered by a low initial Coulombic efficiency (ICE) and inadequate rate capability. Herein, we report a tri-functional nitric acid treatment coupled with one-step carbonization to synthesize a hard carbon with a sp2-C-dominated structure. The process not only eliminates impurities but also selectively dissolves lignin in the biomass, thereby promoting the alignment of graphite microcrystals. At the same time, edge-N and C=O groups are grafted onto the carbon skeleton, which together produce an HC with an optimized interlayer spacing and abundant closed micropores. These structure modifications collectively increase Na+ adsorption kinetics in the sloping region and enable efficient sodium storage in the low-voltage plateau region, yielding a high ICE of 91.69% and a remarkable rate capability, with 83.9% capacity retention at 600 mA g−1. A full SIB cell using this HC anode with a Na3V2(PO4)3 cathode delivers an energy density of 213.14 Wh kg−1, demonstrating its practical potential. This work offers a simple and scalable engineering strategy to overcome the performance vs. manufacturing cost dilemma in developing HC anodes.