搜索结果：Energy & environmental science

In recent years, the bioenergy domain has experienced substantial advancement, largely driven by the integration of advanced technologies such as artificial intelligence (AI) and machine learning (ML), particularly in optimizing microalgae-based systems for biofuel production and sustainable biowaste conversion. AI techniques, including support vector machines (SVM) and artificial neural networks (ANN), have demonstrated strong capabilities in modelling complex nonlinear relationships, enabling improved prediction of process parameters and enhanced system performance. In microalgal bioenergy systems, ANN-based models have achieved high predictive accuracy, with coefficients of determination exceeding 0.93, facilitating efficient biomass production, pollutant removal, and resource optimization. Beyond biofuel generation, microalgal biomass represents a promising renewable feedstock for the green fabrication of advanced energy materials, including carbon-based nanostructures and bio-derived electrodes applicable in energy storage systems such as batteries and supercapacitors. Techniques such as genetic algorithms and ANN-based control systems enable real-time optimization of photobioreactor operations, improving energy recovery efficiency and reducing operational costs. Furthermore, AI-assisted catalytic and thermochemical process have contributed to higher conversion efficiencies and improved sustainability outcomes. The integration of AI with microalgae-based bioenergy and material fabrication systems supports circular economy principles by enabling the conversion of biowaste into high value energy products and functional materials. Despite these advancements, challenges such as computational complexity, data availability, and feedstock variability remain. Addressing these issues through interdisciplinary research is essential for scaling AI-enabled bioenergy platforms. Overall, this study highlights the transformative potential of AI in advancing sustainable bioenergy systems and eco-friendly material fabrication, contributing to global decarbonization and zero-waste goals.

Effective management of the Water-Energy-Carbon (WEC) nexus is vital for global sustainability, yet integrated long-term global forecasts remain scarce. This study couples the Global Change Assessment Model (GCAM) with the Environmentally Extended Multi-Regional Input-Output (EE-MRIO) model to forecast the WEC nexus across 32 global regions from 1990 to 2100. We introduce Internal (coordination) and External (decoupling) indices to assess nexus patterns under four socio-economic and climate change mitigation scenarios. By 2020, global water, energy, and carbon footprints reached 4165 km3, 622.64 EJ, and 33.88 Gt CO2, respectively, heavily concentrated in China and the US. Our historical analysis uncovers a striking geographic misalignment in international supply chains: virtual water predominantly transfers from West to East, whereas embodied energy and carbon flow conversely. Nationally, water-related nexuses exhibit the weakest internal coordination (averaging 0.400) compared to the energy-carbon nexus (0.507). Externally, while water footprint exhibits widespread stronger decoupling from economic growth, energy and carbon footprints remain trapped in weak decoupling, particularly within emerging developing economies such as China and India. Long-term projections show that sustainability-oriented plus strong mitigation scenario (SSP1-2.6) provides the optimal pathway for global WEC nexus optimization, whereas fragmented scenarios (SSP3-7.0) trigger severe pattern reversals and resource risks. We highlight that managing global WEC nexus requires coordinated global supply chains and integrated regional policy management.

The development of efficient, low-energy technologies for nitrogen-containing wastewater treatment remains a critical challenge in water pollution control. Conventional electrochemical denitrification systems, which rely on the hydrogen evolution reaction (HER) as the cathodic half-reaction, face critical limitations in safety, energy efficiency, and mass transfer performance. To address these challenges, a paradigm-shifting chlorine evolution reaction coupled with four-electron oxygen reduction reaction (CER-4eORR) system is proposed, which fundamentally replaces the conventional cathodic HER (Eθ = 0 V vs. RHE) with the 4eORR (Eθ = 1.23 V vs. RHE). The system features a sulfur-doped iron-nitrogen-carbon single-atom catalyst on nickel foam (Fe-NS-C/NF), where sulfur-mediated modulation of FeN4 site electronic structures significantly enhances 4eORR activity and stability. Coupled with a Ru-Ir/TF anode for efficient chlorine evolution reaction (CER), the optimized system achieves a cell voltage of 1.12-1.19 V lower than traditional HER-based systems-and approaches the thermodynamic limit of 1.23 V. This breakthrough reduces NH3N degradation energy consumption from 20.85 to 10.18 kWh/kg (a 51.15% decrease) while maintaining stable operation at 1.2-1.3 V for 100 h without chemical cleaning. When applied to complex real wastewaters of varying compositions, the system consistently reduced cell voltage by approximately 1 V and achieved energy savings of 23.47%-29.04%. This work establishes a green, energy-efficient, and inherently safe electrochemical framework for nitrogenous wastewater treatment, offering a scalable solution aligned with carbon neutrality goals and advancing sustainable water management technologies.

Porphyrophora sophorae is a subterranean piercing-sucking scale insect that damages licorice (Glycyrrhiza uralensis) roots, but the molecular responses associated with larval root colonization remain insufficiently defined. We compared non-parasitic larvae (NP) and root-colonizing larvae (RC) using six RNA-seq libraries, de novo transcriptome assembly, DESeq2-based differential expression analysis, GO/KEGG enrichment, annotation-based candidate gene screening, and RT-qPCR validation of selected genes. Sequencing yielded 260.91 million clean reads, and de novo assembly produced 60,794 non-redundant transcripts. DESeq2 identified 703 FDR-significant DEGs, including 49 upregulated and 654 downregulated genes in RC larvae. Upregulated genes were mainly associated with translation- and ribosome-related processes, whereas downregulated genes were enriched in mitochondrial, oxidation-reduction, energy metabolism, and oxidative phosphorylation-related functions. Annotation-based screening identified 75 FDR-significant candidate genes associated with chemosensation, defense-related responses, and energy metabolism, with mitochondrial energy metabolism-related genes forming the largest module. RT-qPCR validation based on the raw Ct data showed concordant expression directions for ten selected transcript targets. Root colonization in P. sophorae larvae was associated with coordinated transcriptional remodeling involving selective activation of translation-related processes, adjustment of mitochondrial energy metabolism, and changes in defense-related gene expression. These results provide candidate molecular targets for future functional studies of host contact, feeding establishment, and physiological adjustment in this subterranean scale insect.

Extreme thermal environments encountered in hypersonic flight, space infrastructure, high-temperature energy conversion, and harsh industrial processes place mid-infrared radiation at the center of heat exchange, sensing, and energy management. As operating temperatures and environmental aggressiveness increase, conventional room temperature optical design becomes an unreliable predictor of in-service behavior, while the stability of radiative properties under coupled thermal, chemical, and mechanical loads emerges as a critical bottleneck. Despite extensive progress in individual material systems, a unified understanding that links material structure, degradation pathways, and durable mid-infrared functionality remains lacking. This review provides a structure-informed framework for high-temperature-resistant mid-infrared materials, resolving the field into three functional classes of high reflectance, high absorptance or emittance, and high transmittance, and interpreting their performance through four governing structural determinants spanning electronic and defect structure, crystallography and phase stability, microstructure and mesostructure, and high-temperature surface and interface evolution. By consolidating material classes, spectral bands, functional metrics, and temperature limits into a coherent dataset, the review enables like-for-like comparison and the extraction of transferable design descriptors. This perspective couples radiative function with thermal survivability, offering design rules and a roadmap for developing predictable, field-qualified mid-infrared technologies capable of operating at the limits of temperature and energy flux.

Bottom ash (BA) treatment for metal recovery is widely implemented in European waste-to-energy plants. The resulting mineral fractions are increasingly recycled, mainly in construction applications. However, in many countries including Italy, assessments for verifying the environmental compatibility of the products are mainly performed through leaching compliance tests and comparing the results to generic limit values, which do not reflect actual use conditions. This study applies an integrated, risk-based assessment approach for ten mineral fraction samples produced by four full-scale Italian BA treatment plants. Standardized pH-dependence, up-flow percolation and batch leaching tests were performed on each type of sample, as well as aquatic and terrestrial ecotoxicological assays to evaluate the environmental compatibility of the materials for different use scenarios. Results showed that the groundwater application (free use) scenario was consistently critical, with exceedances for several contaminants (e.g. Al, Cr, Cu, Mo, Pb and Sb) and ecotoxicological effects observed for all samples. Conversely, for large-scale unbound applications, only limited exceedances were identified, generally within a factor of 1-3 relative to the risk-based thresholds, and mainly associated with chromium release at low liquid-to-solid ratios. Ecotoxicological results confirmed this trend, with only minor deviations (up to 1.5 times the acceptable dilution factor). No exceedances of human health risk-based limits or ecotoxicological effects were observed for applications such as road sub-base use. Overall, a good agreement was found between the leaching-based and ecotoxicological assessments, indicating that both approaches capture consistent risk patterns. The results demonstrate that, under realistic application conditions and without direct groundwater contact, the investigated materials can be safely used, supporting the adoption of scenario-based evaluation frameworks instead of generic compliance criteria.

Mechanochemistry is emerging as a distinct strategy for the sustainable conversion of recalcitrant substrates (per- and polyfluoroalkyl substances (PFAS), and spent batteries), as well as small molecules such as carbon dioxide (CO2) and nitrogen (N2) into valuable chemical products. By harnessing mechanical force, mechanochemical processes can promote chemical transformations under relatively mild, and solvent-free conditions, while potentially reducing hazardous emissions and simplifying process requirements. However, a coherent mechanistic framework and consistent sustainability evaluation remain underdeveloped. This review synthesizes the key mechanistic pathways, including radical and reactive intermediate generation, electron transfer, solid-gas interface activation, impact-driven micro-temperature (T)/pressure (P), phase transformation, and catalyst-assisted mechanoredox. These mechanistic insights are discussed together with advanced characterization techniques and integrated with techno-economic analysis (TEA), life cycle assessment (LCA), product sustainability index (ProdSI), and uncertainty analysis. By highlighting both opportunities and limitations, this Review aims to provide a balanced framework for guiding the future development of mechanochemical technologies for environmental remediation and resource recovery.

In the iterative development of novel safe energy storage technologies, aqueous zinc-ion batteries (AZIB) have emerged as a key breakthrough alternative solution due to their abundant materials, low cost, high safety, and environmental friendliness. However, vanadium-based cathode materials face widespread challenges stemming from sluggish reaction kinetics, low conductivity, and structural instability. Thus, this paper systematically reviews recent advances in vanadium-based cathode materials for practical AZIB. First, fundamental energy storage mechanisms of vanadium-based materials are introduced to elucidate their energy storage advantages in AZIB. Second, vanadium-based materials are categorized and their synthesis methods are discussed. Third, modification strategies for vanadium-based cathodes are illustrated, including morphological engineering (from zero to three dimensional structures) and chemical engineering (e.g., pre-intercalation and defect technique). Finally, the remaining challenges and future breakthroughs are presented, ultimately advancing high-performance AZIB from laboratory to practical application. It is hoped that these in-depth comparisons and summaries will provide guidance and reference for the design and development of future high-performance zinc-ion battery cathodes.

To address the performance deficiencies of conventional energy materials in proton conduction and energy storage, a one-dimensional hourglass-shaped P4Mo6-based polyoxometalate material was designed and synthesized, with the chemical formula (H2dpe)4[Fe2(H3P4Mo6O31)2]·6H2O (denoted as CUST-580, dpe = 1,2-bis(4-pyridyl)ethane). P4Mo6 clusters were interconnected via Fe ions to form a one-dimensional chain. In this structure, the terminal oxygen atoms of the clusters, free water molecules, and nitrogen atoms of the organic ligands collectively establish a dense hydrogen-bonding network. Proton conduction tests demonstrated that under the conditions of 90 °C and 98% relative humidity, the material achieved a conductivity of 4.01 × 10-3 S cm-1, which followed the Grotthuss conduction mechanism. It also retained structural integrity and long-term stability under various environmental conditions. When CUST-580 was mixed with carbon black and then loaded onto carbon cloth, it displayed typical pseudocapacitive behavior in the mixed electrolyte. At a current density of 1 A g-1, the specific capacitance of CUST-580 reached 361 F g-1, and the capacitance retention rate remained 85.21% after 1500 cycles. This material realized the synergistic optimization of proton conduction and supercapacitor performance, providing new candidate materials and design concepts for the development of high-performance energy conversion and storage devices.

G2019S LRRK2 is the most common cause of familial Parkinson's disease (PD) and is associated with sporadic PD, arising from the interplay of genetic predisposition, environmental exposure and aging. Metabolic syndrome is implicated as a risk factor for PD, but the interaction between G2019S LRRK2 and metabolic stress in disease pathogenesis remains unclear. We employed high-fat diet (HFD) feeding to induce metabolic syndrome in aged mutant LRRK2 mice, followed by system-wide characterization, including metabolomic or proteomic profiling, and bulk or single-nucleus RNA sequencing. We find that thymidine and deoxyuridine levels are consistently reduced across tissues in G2019S LRRK2 knockin mice accompanied by increased hepatic expression of thymidine phosphorylase. HFD exposure further unmasks disruptions in purine and energy metabolism in brain and lung of G2019S LRRK2 knockin mice, with midbrain astrocytes and oligodendrocytes exhibiting the most pronounced impairment in oxidative phosphorylation transcriptional pathways. Our findings demonstrate that pre-existing metabolic syndrome unmasks widespread disruptions in systemic nucleotide and energy metabolism and exacerbates mitochondrial dysfunction in G2019S LRRK2 knockin mice. This conditional "two-hit" phenotype underscores the critical role of environmental factors, such as diet, in revealing metabolic vulnerabilities associated with PD-linked genetic backgrounds, and provides potential metabolic targets for therapeutic intervention in PD.

Marine biofouling is a major environmental and economic challenge for shipping and marine infrastructure, driving the need for effective and sustainable antifouling strategies. In this study, bio-based amphiphilic-designed polymer coatings were synthesized from renewable platform chemicals via an energy-efficient free-radical polymerization approach, thereby avoiding hazardous solvents. The coatings were designed by tuning the hydrophilic-hydrophobic balance to modulate antifouling performance, with crosslinking introduced in selected formulations to improve coating integrity and durability. Polymer synthesis proceeded with high yields (65-83%) and almost successful monomer incorporation, resulting in coatings with suitable chemical properties, controlled surface wettability (>90°), and no detectable acute toxicity against Artemia sp. The environmental sustainability of the synthetic approach was evaluated using green chemistry metrics, including solvent recovery sensitivity scenarios. At the same time, a preliminary user-perception survey was conducted to assess the practical relevance and societal demand for safer antifouling solutions. Laboratory assays revealed strong inhibition of diatom adhesion in predominantly hydrophobic formulations (>90% inhibition), whereas amphiphilic-designed systems exhibited variable, formulation-dependent performance. Static field exposure on PVC panels showed that the tested amphiphilic formulations did not prevent fouling accumulation under prolonged natural immersion, as both microfouling and macrofouling communities developed similarly to those on untreated panels. Microbial community analyses further indicated that bacterial assemblages were more responsive to coating chemistry than fungal communities during early colonization. These results demonstrate the importance of combining renewable feedstocks, green synthesis and multilevel assessment to identify promising bio-based antifouling coatings and guide their future optimization for suitable applications.

Achieving the exposure of high-energy active crystal planes is a very challenging issue due to the thermodynamic limitations. Herein, Pd nanosheets with exposed high-energy (1-10) crystal planes were constructed on IRMOF via layer-by-layer (LBL) electrodeposition. The metal-organic framework (MOF) matrix prevents Pd nanosheets aggregation through spatial isolation, while Pd─N bonds with ─NH2 groups in IRMOF stabilize the high-energy Pd (1-10) crystal planes, enabling their continued activity under acidic hydrogen evolution reaction (HER) conditions. Benefiting from the intrinsically favorable hydrogen adsorption thermodynamics of the Pd (1-10) crystal plane and the high density of low-coordination Pd sites, the optimized Pd/IRMOF-3 achieves an ultralow overpotential of 15 and 370 mV at 10 and 1000 mA cm-2, respectively, outperforming commercial Pt/C. Moreover, it exhibits outstanding durability, sustaining HER for 320 h at 10 mA cm-2, accompanied by preserved crystallinity and surface chemistry after long-term HER. This work demonstrates that MOF-stabilized Pd nanosheets with exposed active crystal planes offer a design for achieving simultaneously high activity and long-term stability of electrocatalysts, providing insights for the rational construction of next-generation electrocatalysts.

Vanadium oxides, owing to their multivalent nature and open framework structure, represent highly promising cathode candidates for aqueous zinc-ion batteries (AZIBs). However, their application is constrained by degradation resulting from V-dissolution at the cathode. In this study, Al1.87V8O20·4H2O (AlVO) was synthesized at a current density of 0.5 A g-1, the capacity retention rate was 91% after 500 cycles. Theoretical calculations indicate that, compared to Ga3+, pre-intercalated Al3+ increases the solubility energy of AlVO, endowing it with greater intrinsic structural strength. During dynamic cycling, Al3+ helps maintain the structural integrity of the material, effectively reducing the increase in system entropy, and regulates Gibbs free energy at the thermodynamic level. Additionally, Al3+ significantly reduces the energy barrier for Zn2+ migration, resulting in a higher proportion of Zn2+ in the AlVO system during Zn2+/H+ co-intercalation compared to Ga2.67V8O20·4H2O (GaVO). According to Le Chatelier's principle, reducing the H+ incorporation ratio in AlVO can effectively inhibit the kinetic process of vanadium dissolution. This study elucidates the dissolution process of vanadium-based cathode materials from the perspectives of thermodynamic principles and kinetic mechanisms, providing a viable approach for designing stable vanadium-based cathodes.

As demands for food quality, safety, traceability, and sustainability increase, traditional packaging systems face challenges in power supply, information acquisition, and dynamic quality management. Triboelectric nanogenerators (TENGs), integrating energy harvesting and signal transduction in a self-powered platform, offer a promising approach for intelligent food packaging. This review summarizes recent advances in TENG-based intelligent food packaging, focusing on working mechanisms, material selection, structural optimization, and applications. Recent advances in charge regulation, interface engineering, and device architecture are discussed in relation to output performance, environmental robustness, and multimodal sensing. Representative applications integrating TENGs with pressure, humidity, vibration, and gas sensors for self-powered monitoring during food transportation, storage, and distribution are summarized. The potential of integrating TENGs with machine learning for data analysis, quality prediction, and intelligent decision-making is also discussed. Current challenges, including limited output, environmental adaptability, mechanical durability, and scalability, are analyzed, and future research directions are proposed. This review provides guidance for the development and industrialization of TENG-based intelligent food packaging and highlights opportunities for future innovation.

All-solid-state fluoride-ion batteries (ASSFIBs) integrate high theoretical energy density, high safety characteristics, and low manufacturing costs, making them a promising candidate for next-generation energy storage technologies. However, the intrinsic shortcomings of high-performance fluoride-ion solid electrolytes severely limit their practical application. Herein, a potassium/strontium dual-doping strategy is designed to synthesize the fluoride-ion conductor β-Pb0.88Sr0.08K0.04F1.96 with a fluorite structure via a straightforward solid-state reaction method. It has been found that KF doping can introduce abundant fluorine vacancy defects to effectively enhance vacancy concentration, while SrF2 and PbF2 can form a continuous solid solution that not only disperses fluorine vacancies generated by K+ doping and suppresses defect aggregation to significantly enhance phase stability, but also induces moderate lattice distortion through the incorporated Sr2+. Through reconfiguration of the local coordination environment of F-, the electrostatic interaction between F- and Pb2+ can be weakened, thereby reducing the ionic migration energy barrier. Owing to the higher vacancy concentration and lower migration barrier, the as-prepared material exhibits a high ionic conductivity of 4.77 × 10-4 S·cm-1 at room temperature, exceeding most reported fluoride ion conductors. ASSFIBs assembled with the fluoride ion conductor as the solid electrolyte present a discharge specific capacity of approximately 132.5 mAh·g-1 over 400 cycles and a capacity retention rate of 97.4%. Therefore, this work offers unique insights into the rational design of PbF2-based solid electrolytes featuring both high ionic conductivity and exceptional phase stability.

The environmental fate of microplastics (MPs) is largely controlled by surface alterations that occur during aging. Conventional bulk spectroscopy has fostered an assumption of uniform surface oxidation, yet this cannot explain the high mobility of severely aged MPs. Here, time-of-flight secondary ion mass spectrometry (TOF-SIMS) was used to map the surface chemistry of four MPs, polyethylene, polypropylene, polystyrene, and poly(lactide), subjected to chemical, photo, and discharge plasma aging. Saturated column experiments with quartz sand showed that more intensive aging consistently enhanced MP transport. TOF-SIMS imaging revealed that aging produces localized oxidation hotspots enriched in oxygenated fragments (C3H3O+ and C4H7O2+), rather than a uniform oxidized layer. These oxygen-containing functional groups include carbonyl species (CO) together with carboxyl (-COOH) and hydroxyl (-OH) moieties. Deprotonation of the carboxyl groups in aqueous media yields carboxylate anions (-COO-), which combine with the polar hydroxyl groups to increase both surface hydrophilicity and negative charge density. XDLVO calculations show that the oxidation-driven increase in hydrophilicity and negative charge raises the interaction energy barrier and suppresses hydrophobic attraction toward quartz sand, consistent with the enhanced transport observed at alkaline pH (mass recovery of 63.49% for plasma-treated PLA at pH 9). The TOF-SIMS mapping provides direct spectroscopic evidence of nanoscale chemical heterogeneity on aged MP surfaces, complementing bulk-scale interaction models and contributing to a physical basis for predicting aged MP mobility.

Transport of Cr(III) colloids in the subsurface poses environmental risks because they can be reoxidized to carcinogenic Cr(VI). Although dissolved organic matter (DOM) is known to determine the fate of colloidal Cr(III) via organic-mineral interactions, the molecular mechanisms controlling its mobility and deposition remain unclear. This study investigated changes in the deposition kinetics and characteristics of Cr(III) colloids in response to DOM composition and concentration. Quartz crystal microbalance with dissipation showed a nonmonotonic deposition pattern of Cr(III)-DOM colloids across DOM concentrations and types. Specifically, the deposition efficiency decreased to a minimum at a critical DOM concentration, above which it increased significantly with the irreversible fraction. This phenomenon was driven by dynamic interactions between silica and the multilayer corona of Cr(III) colloids, arising from the self-assembly of aliphatic compounds with condensed polyaromatics or polyphenols. The mechanism was supported by Fourier transform ion cyclotron resonance mass spectrometry, scanning transmission electron microscopy with electron energy loss spectroscopy, and molecular dynamics simulation. A mechanistic dimensionless model based on normalized deposition mass and sorbed aliphatic abundance successfully predicted the deposition of crystalline Cr(III) colloids under soil, sediment, and aquatic DOM. These findings highlight the importance of the DOM molecular composition in assessing heavy metal colloidal transport and Cr contamination risks.

Iron-catalyzed Fenton-like systems driven by sodium percarbonate (SPC) hold great potential for the oxidative degradation of organic pollutants, but the sluggish Fe(Ⅲ)/Fe(Ⅱ) redox cycle and deficient electron replenishment limit the rapid generation of reactive oxygen species (ROS). Herein, we report a bifunctional cocatalyst derived from polydopamine (PDA) that simultaneously accelerates the Fe(Ⅲ)/Fe(Ⅱ) cycle and promotes the generation of hydroxyl radicals in the Fe(Ⅲ)/SPC system. The chelation of phenolic hydroxyl groups with iron ions initiates ligand-to-metal charge transfer, enabling the direct reduction of Fe(Ⅲ) to Fe(Ⅱ). Concurrently, the catechol groups elongate the Fe-O bond of FeOH2 +, elevating the oxidation potential of Fe(Ⅲ) and lowering the energy barrier for H2O2-mediated Fe(Ⅲ) reduction, further promoting Fe(Ⅱ) regeneration. The Fe(Ⅲ)/SPC/PDA system exhibits self-acidification capability, enabling efficient degradation of chlorinated hydrocarbons over a wide pH range and in complex real-world water matrices. Under optimal conditions of 2.5 mM Fe(III), 2 mM SPC, and 200 mg/L PDA, trichloroethylene can be completely removed within 30 min, achieving a removal rate as high as 0.209 min-1. The PDA cocatalyst also demonstrates excellent recyclability, outperforming most previously reported cocatalysts. The potent regulatory effect of PDA is extended to other iron/SPC-based advanced oxidation processes and the removal of various recalcitrant pollutants. This study presents an environmentally friendly cocatalyst that effectively enhances the sustained activity of Fenton-like oxidation systems in water decontamination.

This report presents an in-depth investigation of four stacking configurations of the van der Waals heterostructure (vdW-HS) of Ti2CO2 and HfSi2N4, conducted to explore their potential for green energy applications. The vdW-HS Ti2CO2/HfSi2N4 has a negligible lattice mismatch of 0.23% between the constituent monolayers, guaranteeing high structural compatibility. The dynamic stability has been confirmed by the phonon band structure, which has no imaginary frequencies throughout the full Brillouin zone. From the electronic band structure analyses, it has been confirmed that all stacking configurations yield identical band characteristics along with an indirect band gap of 0.88&#xa0;eV calculated by using the Heyd-Scuseria-Ernzerhof (HSE06) functional with spin-orbit coupling (SOC). Remarkably, this vdW-HS displayed type-I band alignment, the electrons tunnel directly from the VBM to CBM of Ti2CO2 monolayer, allowing efficient carrier confinement and recombination, which is advantageous for advanced optoelectronic applications. Moreover, the electronic band edges of the vdW-HS Ti2CO2/HfSi2N4 demonstrate its high suitability for photocatalytic oxygen evolution reaction (OER), but not for hydrogen evolution reaction (HER). The latter unsuitability of the considered vdW-HS is also confirmed by &#x394;GH > 0.2 or &#x394;GH < -0.2&#xa0;eV for all possible sites at the surface of the heterostructure. The considered vdW-HS has a significant static dielectric constant of 4.72, along with noticeable optical absorption in the visible spectrum and intense absorption of 1.50 &#xd7; 106&#xa0;cm-1 in the ultraviolet region. The spectroscopic limited maximum efficiency (SLME) of &#x223c;32% is higher than other highly appreciated thin-film photo-responsive absorber materials such as CuInSe2 (&#x223c;28%) and CdTe (&#x223c;31.5%). The n-type carriers have a higher value of Seebeck coefficient as compared to p-type carriers, which confirms that n-type doping will be more beneficial than p-type. The lattice thermal conductivity &#x3ba;ph of the vdW-HS Ti2CO2/HfSi2N4 is 8.41&#xa0;W/mK at room temperature, which is at least 2.5 and 4.6 times lower than the lattice thermal conductivity of Ti2CO2 and HfSi2N4, respectively. These results highlight the potential of the vdW-HS Ti2CO2/HfSi2N4 as a highly suitable candidate for next-generation optical absorbers and thermoelectric materials for green energy technologies.