Direct CO2 hydrogenation to high-value light aromatics (BTX) has garnered significant research interest, but the current state-of-the-art BTX selectivity remains unsatisfactory. Herein, an oxide/dual-zeolite tandem catalyst was developed through physical mixing of SAPO-34 (hereafter abbreviated as SP34) and ZnZrOx/ZSM-5 (hereafter referred to as ZZO/Z5). The optimized ZZO/2SP34/Z5 catalyst achieves a promising BTX selectivity (42.3
Given the escalating challenge of global plastic pollution, pyrolysis has emerged as an important technology for converting waste plastics into high-value chemicals and liquid fuels. However, due to complex reaction networks, variable feedstock compositions, and multiphase flow characteristics, traditional methods face significant bottlenecks in process optimization and mechanistic exploration. Artificial intelligence (AI) offers a novel perspective for overcoming these complexities with its inherent advantages in processing high-dimensional data involving nonlinear interactions among variables. Against this backdrop, this review comprehensively surveys and analyzes the latest progress and limitations of applying AI to plastic pyrolysis, focusing on the identification of pyrolysis kinetic parameters using intelligent optimization algorithms and AI methods, the prediction of plastic pyrolysis reaction outcomes using AI, the exploration of intrinsic relationships between key process features and product distribution, and pyrolysis mechanisms using interpretability tools, and reactor optimization combining physical models such as computational fluid dynamics (CFD) with AI-based surrogate models. Furthermore, emerging applications of natural language processing (NLP) and large language models (LLMs) in automating the construction of standardized pyrolysis databases and knowledge graphs are explored. While summarizing technical advantages, current weaknesses such as data scarcity, insufficient model generalization, and the lack of physical information coupling are also analyzed and discussed. Finally, a conceptual architecture for an LLM-driven pyrolysis agent is proposed to integrate mechanism retrieval, process simulation, and experimental support. This review provides theoretical insights and future perspectives for intelligent process optimization and potential engineering applications of plastic pyrolysis for the conversion of waste plastics into fuels and chemicals.
Protonic solid oxide electrolysis cells (P-SOECs) represent a promising technology for efficient and economical green hydrogen production. However, the development of high-performance anodes that simultaneously achieve excellent catalytic activity and mixed ionic–electronic conductivity remains a significant challenge. In this work, high-performance La0.9Ba0.1Co0.7Ni0.2Ag0.1O3−δ (LBCNA) anodes featuring the coexistence of three-phases—rhombohedral ABO3-type LBCNA, Ruddlesden–Popper type LBCNA, and Ag metal nanoparticles—were successfully constructed. The optimized LBCNA-900 anode exhibits exceptional catalytic activity, with an ultralow area-specific resistance (ASR) of 0.10 Ω·cm2 at 600 °C. When applied in P-SOECs, the LBCNA-900 anode demonstrates remarkable performance, achieving a high current density of 1.8 A·cm−2 at 1.3 V at 600 °C. Beyond its promising application potential, this synergistic strategy provides a novel design principle for developing advanced electrocatalysts, with potential implications for a broad range of energy conversion and storage technologies.
The development of efficient, durable, and cost-effective oxygen evolution reaction (OER) electrocatalysts is essential for advancing renewable energy technologies. Herein, a novel strategy is reported that spatially confines a nanoscale localized high-entropy oxide (LHEO) consisting of Fe, Co, Ni, Zn, and Mn within α-Fe2O3, forming a unique α-Fe2O3@LHEO nanoarchitecture. The catalyst exhibits outstanding OER performance for alkaline water splitting, achieving a current density of 10 mA/cm2 at a low overpotential of 229 mV with a small Tafel slope of 34.4 mV/dec, significantly outperforming commercial RuO2 (326 mV, 118.8 mV/dec). It also shows excellent long-term stability over 1000 h at 100 mA/cm2 without notable activity degradation. Applied in rechargeable zinc–air batteries with natural seawater, the α-Fe2O3@LHEO cathode delivers a high power density of 88.3 mW/cm2 and stable operation over 600 cycles, substantially surpassing the benchmark Ru-Pt electrocatalyst (74.7 mW/cm2, 170 cycles). Combined experimental and theoretical studies reveal that LHEO induces lattice strain in α-Fe2O3, modulates its electronic structure, and lowers the crystal field splitting energy to stabilize high-spin Fe3+. These effects enhance metallic character for efficient charge transfer and optimize the adsorption/desorption of key oxygen reaction intermediates, thus shifting the OER pathway from the conventional adsorbate evolution mechanism (AEM) to the more energetically favorable lattice oxygen mechanism (LOM) with the energy barrier reduced from 1.85 to 1.71 eV. Overall, this work proposes a novel localized high-entropy engineering approach that overcomes key bottlenecks in designing efficient and durable OER electrocatalysts based on earth-abundant materials.
In planar solid oxide fuel cells (SOFCs), operation at high fuel utilization inevitably induces strong fuel concentration gradients along the flow direction, leading to pronounced non-uniformity in current density distribution. Here, a thickness-gradient electrolyte strategy is proposed to homogenize the current distribution by deliberately modulating the local ohmic resistance, suppressing current density in fuel-rich inlet regions while enhancing it in fuel-depleted outlet regions. A gradient YSZ electrolyte with a thickness ranging from 5 to 13 µm was successfully fabricated on a 10 cm × 10 cm single cell via a wet-spraying process, together with a dense 1.8 µm gadolinia-doped ceria (GDC) barrier layer formed by in situ hydrothermal self-crystallization. Compared with conventional uniform-thickness electrolytes, the gradient electrolyte effectively reduces current density gradients and achieves improved current distribution uniformity under comparable fuel utilization conditions. Combined experimental characterization and multiphysics simulations demonstrate that the proposed gradient-electrolyte design significantly alleviates both current density non-uniformity and the associated thermal gradients in SOFCs operating at high fuel utilization. Overall, this work establishes a simple and scalable design strategy for regulating internal physical fields in SOFCs, offering a promising pathway toward improved conversion efficiency and enhanced durability under practically relevant operating conditions.
Light olefins, represented by ethylene, are key feedstocks in the petrochemical industry, but traditional production technologies suffer from high energy consumption and carbon emissions. Solid oxide electrolysis cells (SOECs) have emerged as a promising high-temperature electrochemical platform for light alkane upgrading, offering a green and efficient alternative for ethylene production. This review systematically summarizes the research progress, reaction mechanisms, and advanced material systems of SOEC-driven conversion of light alkanes (mainly methane and ethane) to ethylene. SOECs operate at 600–900 °C, enabling precise regulation of oxygen species activity and flux or proton extraction via electrochemical means, thereby overcoming the inherent conversion–selectivity trade-off of conventional thermochemical processes. The technology encompasses two main routes: oxygen-ion-conducting SOECs for the oxidative dehydrogenation (ODH) of ethane and oxidative coupling of methane (OCM), and proton-conducting SOECs for the non-ODH of ethane. Key reaction mechanisms involve the regulation of active oxygen species (e.g., lattice oxygen, peroxide, and superoxide) and proton transfer, while strategies such as in situ exsolution, elemental doping, and surface infiltration effectively enhance catalyst activity and selectivity. Advanced anode materials, including perovskites, metal–oxide heterointerfaces, and composite systems, have demonstrated remarkable performance. Ethane conversion rates of up to 80
The Fe–N–C single-atom catalyst represents a promising candidate for promoting the oxygen reduction reaction (ORR), which is crucial for fuel cell applications; yet, identifying optimal modification strategies to enhance its activity and stability remains challenging. Herein, the modulation of Fe–N–C catalysts via in-plane heteroatom doping and axial coordination is systematically investigated using integrated density functional theory (DFT) and machine learning (ML) approaches. The analysis reveals that axial ligands have a more profound influence on ORR performance than in-plane dopants, primarily by modulating the Fe dz2 orbital and weakening *OH adsorption. Through interpretable descriptors extracted from ML models, the key electronic and geometric properties governing catalyst behavior are identified, and several novel dual-modified candidates with enhanced activity relative to pristine Fe–N–C are subsequently predicted and validated by DFT calculations. This work provides a unified mechanistic and data-driven framework for accelerating the design of high-performance Fe–N–C ORR electrocatalysts.
Zinc-ion batteries (ZIBs) represent a promising class of post-lithium energy storage systems. However, their practical deployment is impeded by critical interfacial instabilities, such as uncontrolled growth of zinc dendrites, adverse parasitic interfacial reactions, and cathode material dissolution. Atomic layer deposition (ALD), renowned for its atomic-scale precision and exceptional conformality, offers a pivotal strategy to mitigate these challenges. This review provides a comprehensive analysis of ALD applications in ZIBs, with a central focus on a critical paradigm shift: from the use of simple passive physical barriers toward multifunctional coatings capable of actively regulating interfacial chemistry and ion transport. It elucidates the mechanisms through which ALD-derived coatings (e.g., Al2O3, ZnO, Fe2O3) regulate Zn2+ flux, suppress hydrogen evolution reactions (HERs), and induce preferential zinc deposition along specific crystallographic orientations (e.g., the Zn (002) plane) to inhibit dendrite formation. Furthermore, it covers ALD strategies for enhancing cathode structural stability against dissolution and collapse, as well as for functionalizing separators to achieve selective ion transport. Finally, it presents critical perspectives on overcoming the cost-scalability trade-off and deepening the mechanistic understanding of structure-property relationships, aiming to guide the rational design of durable and high-performance ZIBs. This paradigm shift represents a fundamental transition in interface design philosophy for high-performance ZIBs.
A series of layer-by-layer organic photovoltaics (LOPVs) were constructed using D18 as the donor and L8-BO, featuring exciton self-dissociation characteristics, as acceptor. A trace amount of high crystallinity, high-hole-mobility polymer P66 was intentionally introduced into the L8-BO layer to enhance the hole transport. The power conversion efficiency (PCE) of the LOPVs improved from 18.97
Proton-exchange-membrane water electrolysis (PEMWE) is a leading technology for green hydrogen production, yet its performance and durability at high current densities are increasingly constrained by transport and interfacial losses within the porous transport layer (PTL). Positioned between the flow field and the catalyst layer, the PTL governs coupled two-phase water/oxygen transport, electronic conduction, heat dissipation, and mechanical support under harsh anodic conditions. In particular, the counter-current flow of liquid water and evolved oxygen, bubble nucleation and detachment dynamics, interfacial contact resistance, and corrosion-induced degradation collectively dictate cell efficiency and lifetime. This review summarizes recent advances in the development of high-performance Ti-based PTLs for PEMWE. Key thermal/electrical conduction and mass-transport mechanisms in PTLs, together with their influence on cell performance, are discussed. PTL performance can be improved through rational control of substrate microstructure, protective coatings, and surface modification. Two-phase transport can be enhanced by tuning pore architecture and wettability, while PTL–CL contact and catalyst utilization can be improved by introducing a microporous top layer. In addition, various PTL fabrication and processing strategies are comparatively discussed to highlight their respective advantages, limitations, and roles in enabling highperformance PEMWE operation.
Biomass-derived materials are emerging as powerful enablers for sustainable solid-state batteries (SSBs), offering structurally tunable, chemically versatile, and environmentally benign alternatives to conventional battery components. This review critically examines recent advances in the use of bio-derived carbons, polymers, and composites across key SSBs elements, including electrodes, solid electrolytes, binders, and separators. Biomass-derived carbons produced via pyrolysis, hydrothermal carbonization, and molten-salt methods provide hierarchical porosity and controllable graphitization, enabling efficient ion transport, catalytic activity, and mechanical buffering in electrode architectures. Biopolymers such as cellulose, lignin, and chitosan serve as functional matrices for solid polymer and gel electrolytes, enhancing ionic conductivity, interfacial stability, and mechanical integrity, while their intrinsic microstructures can also template low-tortuosity inorganic ceramic electrolytes. In addition, bio-based binders, separators, and electrolyte additives help address critical challenges, including dendrite growth, polysulfide shuttling, and interfacial degradation. Remaining barriers, such as feedstock variability, impurity control, multifunctional performance trade-offs, and scalable processing, are discussed alongside emerging opportunities enabled by artificial intelligence-assisted materials design. By synthesizing fundamental design principles and recent progress, this review highlights how biomass-derived materials can accelerate the development of high-performance, safe, and truly sustainable next-generation SSBs.
High NOx emissions pose a critical challenge for ammonia engines. This study proposes ammonia post-injection as a strategy to achieve in-cylinder NOx active reduction in ammonia direct-injection engines, offering an innovative approach for NOx emission control. Computational fluid dynamics (CFD) simulation results elucidate the characteristics of ammonia combustion and NOx evolution under ammonia post-injection conditions. The post-injected ammonia can efficiently reduce the in-cylinder NOx it encounters, leading to a significant decrease in NOx concentration. Chemical kinetics analysis was conducted to reveal the underlying mechanisms and reaction pathways of the SNCR effect on NOx. The reduction of NOx primarily proceeds through the reactions between NO/NO2 and NH/NH2. NO is reduced via three pathways, yielding NNH (by NH2), N2O (by NH), and N2 (by NH and NH2), respectively. In contrast, NO2 is reduced via a single pathway that yields N2O under the action of NH and NH2. NH2 plays the overwhelmingly dominant role in reducing both NO and NO2. The effectiveness and feasibility of ammonia postinjection in reducing NOx emissions were evaluated through engine experiments. The experimental results demonstrate that the ammonia post-injection strategy enables significant NOx reduction for ammonia direct-injection engines. In the current work, a 14.4
Thermal energy systems (TES) are an essential part of industries that have evolved over time through the engagement of managers and researchers. The development of digital twin (DT) technology has enabled accurate prediction of their performance. The inherent limitations of complex thermal systems, such as noisy input data and occasional lack of measurement data or boundary conditions, have recently created opportunities to apply physics-based problem-solving alongside DT technology. This paper aims to systematically review the novel physics-informed neural network-digital twin (PINN-DT) methodology as a potential solution to these challenges, and to present a taxonomy for problem-solving. The outcome of this study provides valuable guidance in selecting PINN-DT technology in thermal energy system (TES) modeling. A review of the proposed loss functions demonstrates that their design is critical for achieving precise outcomes in this technology, effectively serving as the foundational core of PINN-DT. As a result, it is recommended that the construction of the loss function be fundamentally guided by two principal considerations: forecasting accuracy and compliance with physical principles, which serve as foundational pillars in the surrogate model design framework. A significant gap exists in applying this technology to industries that use discrete sampling for quality control. Implementing the PINN-DT framework could address this issue by determining optimal sampling intervals, thereby offering vital decision-making support. Moreover, the absence of exergy analysis in formulating the physical loss component of the loss function represents a significant research gap. Future studies should therefore incorporate the exergy concept into the design of the loss function.
Photocatalytic CO2 reduction for solar fuel production is a critical technology enabling carbon cycling and efficient renewable energy storage. However, conversion efficiency remains severely limited by bottlenecks such as rapid recombination of photogenerated charge carriers, high activation barriers for CO2 molecules, and inadequate catalyst stability. To overcome these challenges, this study constructed an in situ ZrO2 nanoparticle protective layer on CdS nanospheres, yielding a ZrO2/CdS-20 (ZOCS-20) core-shell composite photocatalyst. Under light conditions, this catalyst demonstrated exceptional performance, with a CO production rate of 330.23 µmol/(g·h) and near 100
The interfacial stress between silicon bottom cell and perovskite top cell remains a critical challenge for flexible perovskite/silicon tandem solar cells, leading to interfacial delamination and device degradation. In this work, the effect of the thickness and pyramid size on mechanical properties of silicon wafers are investigated, demonstrating that thinner wafers and smaller pyramids significantly enhance the flexural strength of thin silicon wafers by mitigating stress concentration effects. Based on these findings, a synergistic optimization strategy is proposed that employs precise wet-etching control to fabricate small-sized, high-density, uniform pyramids on 55 µm silicon wafers for efficient and flexible perovskite/silicon tandem solar cells. By optimizing the texturing duration, this approach simultaneously enhances the minority carrier lifetime (τ) and achieves an excellent implied open-circuit voltage (iVoc). Furthermore, the uniform submicron-scale pyramid structure promotes high-quality perovskite film formation and improves interfacial contact properties. As a proof of concept, monolithic flexible perovskite/silicon tandem devices fabricated on such uniformly textured pyramids delivered a power conversion efficiency (PCE) of 30.04
The transition from a linear economy to a circular carbon economy urgently requires sustainable and efficient technologies for converting non-fossil biomass and waste plastics into fuels and high-value chemicals. Solar-driven photocatalytic technology has emerged as a promising strategy due to its mild reaction conditions and potential for selective transformation, which addresses the limitations of traditional recycling and conversion methods (e.g., high energy consumption, harsh conditions, and poor selectivity). However, current photocatalytic valorization systems still suffer from insufficient activity and selectivity, mainly due to the inability to precisely regulate reaction pathways. Considering that selective bond activation (especially C–H and C–C bond activation) is the key determinant, this review focuses on the photocatalytic valorization of biomass and plastics, classifies reaction pathways based on dominant bond selectivity, and mainly emphasizes the contrast between C–H and C–C bond activation. This classification approach overcomes the limitations of traditional substrate-based classification, providing new insights for the rational design of highly selective photocatalytic systems to realize the valorization of biomass and waste plastics.
Ammonia is a promising carbon-free fuel for internal combustion engines (ICEs). However, existing research has not yet provided satisfactory solutions for ammonia combustion, a crucial gap that significantly limits its practical application. In this study, ammonia thermal atmosphere compression ignition (TACI) combustion mode was proposed as a promising solution to achieve efficient and clean ammonia diffusion combustion in ICEs. This study investigates the stable combustion mechanism of ammonia spray, the formation characteristics of nitrogen oxides, and the greenhouse gas (GHG) reduction potential of the ammonia TACI combustion mode. Experimental results of the TACI mode demonstrate high thermal efficiency, low NOx emissions, ultra-low N2O emissions, and negligible unburned ammonia slip. Intake control strategies, including intake pressure and intake temperature, are explored to further improve the ammonia substitution ratio (ASR) and GHG reduction performance. Intake air heating significantly improves the ASR, but must be coupled with high intake pressure to ensure sufficient oxygen supply. The combined strategy of intake air heating and high intake pressure increases the ASR by 17
Li metal batteries (LMBs), owing to their high theoretical specific energy, are considered a crucial development direction for future high-energy-density battery systems. However, the high reactivity of the Li metal anode leads to extreme electrochemical and chemical instability at the interface with the electrolyte. This instability triggers detrimental effects, including Li dendrite growth, repeated cracking and reformation of the solid electrolyte interphase (SEI), and continuous irreversible consumption of both active Li and electrolyte. Therefore, designing high-performance electrolytes to precisely regulate interfacial chemistry has become one of the core strategies for advancing the practical application of LMBs. Significant progress has recently been made in stabilizing the Li metal–electrolyte interface (Li-electrolyte interface) through strategies including additives, weakly solvating electrolytes (WSEs), high-concentration/localized high-concentration electrolytes (HCEs/LHCEs), and novel molecular design. Nevertheless, these advanced strategies and their corresponding stabilization mechanisms have not yet been systematically organized. To address this gap, this review focuses on four core electrolyte design strategies and systematically summarizes their mechanisms for stabilizing the Li-electrolyte interface. Building on this foundation, it discusses the inherent limitations of individual electrolyte design strategies. It then focuses on the potential of synergistic electrolyte design to achieve a more electrochemically stable Li-electrolyte interface. Finally, it proposes future research directions requiring key focus for existing electrolyte design strategies.
Aqueous zinc-ion batteries (AZIBs) have emerged as promising candidates for large-scale energy storage systems in the post-lithium era, owing to their inherent safety and cost-effectiveness. However, their practical implementation faces significant challenges, including chemical corrosion, uncontrolled dendrite formation, and hydrogen evolution reactions (HER). To address these limitations, an innovative “hydrophobic-zincophilic” Pd/g-C3N4 composite coating was developed for Zn anodes by atomic-layer-deposition (ALD). The g-C3N4 matrix serves as an ion flux regulator, while uniformly dispersed Pd nanoparticles function as zincophilic nucleation sites, enabling homogeneous Zn deposition. In situ optical characterization demonstrates the coating’s dual functionality: the hydrophobic component effectively minimizes water contact, while the zincophilic phase guides ordered Zn plating, jointly suppressing parasitic reactions. The modified Pd/g-C3N4@Zn anode achieves exceptional cycling stability (> 2500 h) and maintains a remarkable Coulombic efficiency of 99.56
The teams of Lu and Tian reported a halide ion modification strategy that endows a Pt cathode with strong anti-scaling capability while sustaining an efficient hydrogen evolution reaction during direct seawater electrolysis. The surface-bound halide ligand optimizes *H adsorption on adjacent Pt sites to boost Heyrovsky step and repels interfacial OH− to shift the local pH maximum into the bulk electrolyte. These combined effects drive continuous hydrogen generation and high-purity Mg(OH)2 precipitation without observable decay in a long-term stability measurement at 100 mA cm−2 in direct seawater electrolysis.
