化学•材料最新文献

{"title":"Underground hydrogen storage: Comprehensive screening and ranking of depleted oil and gas reservoirs for their potentials","authors":"Wei Wei ,&nbsp;Yaser Alzayer ,&nbsp;Abdulkareem AlSofi ,&nbsp;Chen Zhu","doi":"10.1016/j.rser.2025.116198","DOIUrl":"10.1016/j.rser.2025.116198","url":null,"abstract":"<div><div>Underground Hydrogen Storage (UHS) in depleted oil and gas reservoirs is critical to the hydrogen economy, providing a means to balance seasonal fluctuations in renewable energy supply and demand. The key to ensuring a stable and efficient UHS is to select a suitable storage site. Here we reviewed existing and potential UHS projects worldwide and developed a comprehensive screening and scoring system for UHS site assessment. We first propose a novel set of criteria covering three principal areas: enhancing storage and withdrawal efficiency, minimizing risks, and addressing environmental and economic impacts. These criteria are further divided into a framework of sub-criteria, with disqualifying thresholds defined based on their effects on UHS. The screening criteria with thresholds could be used for preliminary screening for UHS sites. Next, we establish an associated scoring system for each criterion, ranging from 1 (least suitable) to 5 (most suitable) for UHS. In practice, each criterion could be weighted according to its significance to the project, and a total UHS site score could be obtained by the weighted sum. Unlike previous studies, we investigate each criterion and its threshold on previous experiments and simulation results to ensure an evidence-based UHS site evaluation system. By establishing clear thresholds and scoring metrics for UHS sites in depleted oil and gas reservoirs, we ensure that the criteria are practical and applicable across various geological and operational contexts. Looking forward, further validation and integration with operational, economic, and infrastructure considerations are essential for long-term success.</div></div>","PeriodicalId":418,"journal":{"name":"Renewable and Sustainable Energy Reviews","volume":"225 ","pages":"Article 116198"},"PeriodicalIF":16.3,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144858457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dynamic Co(II)/Co(III) Cycle Driven by Outer- and Inner-Sphere Electron Transfer for Sustained Peroxymonosulfate Activation.","authors":"Ning An,Nan Chen,Chuanping Feng,Shuo Zhang,Zhe Li,Tong Liu,Yang Liu,Wang Lu,Zhengyuan Feng,Hang Gao,Haotian Mu,Miao Li","doi":"10.1021/acs.est.5c03860","DOIUrl":"https://doi.org/10.1021/acs.est.5c03860","url":null,"abstract":"In the realm of transition metal (Mn+) activated peroxymonosulfate (PMS), sluggish reduction kinetics of M(n+1)+ often lead to the rapid deactivation of catalytic centers, posing a significant challenge for commercialization of homogeneous advanced oxidation processes (AOPs). We report a pioneering elucidation of a distinct Co(II)/Co(III) cycling mechanism within electrochemically enhanced PMS-AOPs, utilizing Co(II) as a model catalyst. Remarkably, this cycling process predominantly unfolds in the anodic region, rather than the cathodic, revealing a novel aspect of electrochemical modulation. Co(III), generated by anodic oxidation, emerges as a pivotal species that disrupts the dimerized hydrolysis product ([Co(III)OH]24+). Electron transfer from the hydroxyl oxygen in [Co(III)OH]24+ to Co(III) induces electron redistribution, ultimately facilitating Co(III) reduction and release via both outer- and inner-sphere electron transfer pathways. Gibbs free energy calculations unequivocally confirm the spontaneity of the cyclic process. Our system exhibits superior performance metrics, achieving Co(IV)═O (5.57 × 10-2 mM/M Co) and SO4•- (2.51 × 10-6 mM/M OSO3) yields that surpass most reported catalytic systems, along with an exceptional mass activity of Co(II) (368.87 L/g). This study offers a fresh perspective on Mn+ regeneration for sustained PMS activation in homogeneous transition metal catalysis, with potential implications for advancing the field of environmental remediation.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"14 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144857676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural Motifs in Cold Ion Complexes of Carboxy-Functionalized Ionic Liquids Explored by Multi-Nanosecond Extended Tight-Binding Replica Exchange Molecular Dynamics Simulations.","authors":"Lena Möhring, Jule Kristin Philipp, Dietmar Paschek, Ralf Ludwig","doi":"10.1021/acs.jpca.5c01548","DOIUrl":"https://doi.org/10.1021/acs.jpca.5c01548","url":null,"abstract":"<p><p>Strong, local, and directional hydrogen bonds (HBs) govern the structures and arrangements of carboxy-functionalized ionic liquids. The analysis of infrared spectra in the CO stretching region has revealed doubly hydrogen-bonded cationic dimers (c⁺=c⁺) in the liquid, resembling the archetype HB motif known from carboxylic acids. The like-charge doubly hydrogen-bonded ion pairs are also present in the crystal structure, surviving the phase transition into the liquid state, and are still present in (2,1) complexes in the gas phase. The spectral signatures of cryogenic ion vibrational predissociation spectroscopy showed that no other isomers of (2,1) complexes are present at 40 K. To study the unbiased thermal equilibrium of (2,1) complexes at experimental conditions, we perform extended tight-binding replica exchange molecular dynamics (xTB-REMD) simulations of ([HOOC-(CH₂)-py]⁺)₂([NTf₂]^-)₁, for temperatures ranging from 30 to 545 K employing the GFN1-xTB method. The REMD simulations consisting of 14 replicas allow for frequent conformational transitions at high temperatures and thus ensure proper conformational sampling at the experimental conditions. We demonstrate that the (c⁺=c⁺) HB motif exclusively dominates below about 80 K. In the low-temperature (c⁺=c⁺) configurations, the [NTf₂]^- anion is sandwiched between the two pyridinium rings of the doubly hydrogen-bonded cations in a clamp-like fashion. With increasing temperature, the (c⁺=c⁺) configurations transform into a state mostly devoid of any HBs at a transition temperature of 126 K. The large transition enthalpy of -9.4 kJ mol^-1 underlines the particular strength of the (c⁺=c⁺) HB motif despite the presence of strong repulsive Coulomb forces between the two cations.</p>","PeriodicalId":59,"journal":{"name":"The Journal of Physical Chemistry A","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144858703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dynamic electrical degradation of PEM electrolyzers under renewable energy Intermittency: Mechanisms, diagnostics, and mitigation strategies – A comprehensive review","authors":"Fahad Maoulida,&nbsp;Damien Guilbert,&nbsp;Mamadou-Baïlo Camara,&nbsp;Brayima Dakyo","doi":"10.1016/j.rser.2025.116170","DOIUrl":"10.1016/j.rser.2025.116170","url":null,"abstract":"<div><div>Proton Exchange Membrane (PEM) electrolyzers are pivotal for green hydrogen production, yet their widespread deployment is hindered by durability issues under real-world dynamic conditions, particularly when powered by intermittent renewable sources. This review explores the main degradation mechanisms affecting PEM electrolyzers, focusing on electrical, thermal, and cycling-induced aging phenomena. Operating at high current densities (up to 3 A cm⁻²) accelerates internal electrical degradation, with ohmic resistance rising by ∼50 μV/h due to titanium oxide formation in porous transport layers. Elevated temperatures (&gt;100 °C) intensify membrane thinning, hotspot development, and hydrogen bubble accumulation reducing device lifetime from 35,000 to 8700 h (e.g., between 333 K and 353 K). Frequent ON/OFF cycling further degrades performance through catalyst dissolution and electrode delamination, causing voltage drifts of 20–50 μV/h. The originality of this work lies in its multiphysics and integrative perspective, systematically linking these degradation pathways with corresponding mitigation strategies, all supported by experimental data. Key solutions include dynamic electrical control (up to 80 % effective), advanced thermal regulation (up to 70 % effective), and real-time diagnostics via Electrochemical Impedance Spectroscopy (EIS). By combining physical modeling with experimental insights, this review offers a comprehensive framework for understanding and reducing degradation in PEM electrolyzers. It provides valuable guidance for improving their durability and reliability under variable operating regimes. Ultimately, this work aims to support the accelerated industrial adoption of PEM technology in renewable energy systems subject to dynamic and fluctuating conditions.</div></div>","PeriodicalId":418,"journal":{"name":"Renewable and Sustainable Energy Reviews","volume":"225 ","pages":"Article 116170"},"PeriodicalIF":16.3,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144858458","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Waste plastic-derived carbon materials for supercapacitors and rechargeable batteries","authors":"Yafei Shen","doi":"10.1016/j.rser.2025.116206","DOIUrl":"10.1016/j.rser.2025.116206","url":null,"abstract":"<div><div>Valorization of waste plastics into hydrogen and carbon materials is a promising way to achieve both waste resources upcycling and valuable materials production. Owing to their tunable physicochemical properties, researchers have made great progress in developing waste plastic-derived carbon materials for electrochemical energy storage applications. In common, the carbon nanomaterials such as graphene, porous carbon, hard carbon, and carbon nanotubes (CNTs) can be produced from the carbonization of waste plastics. The features of carbon nanomaterials such as specific porous structure, specific surface area, heteroatoms dopants, and various surface functional groups of diversely dimensional carbon structures can significantly affect the electrochemical performance. This review concludes the preparation of carbon materials with different dimensional structures from waste plastics by thermochemical conversion processes such as catalytic pyrolysis and carbonization. The recent advances in transformation of various waste plastics to diverse carbon materials such as graphene, CNTs, carbon nanospheres (CSs), carbon nanosheets (CNs), porous carbons and their composites are highlighted. Furthermore, the research advances and challenges in the applications of waste plastic-derived carbon materials for electrochemical energy storage such as supercapacitors and rechargeable batteries (e.g., lithium-ion batteries, sodium-ion batteries, potassium-ion batteries, lithium-sulfur batteries, and zinc-air batteries) are concluded for promoting the coordinated development of energy storage materials science and the environmental protection industry.</div></div>","PeriodicalId":418,"journal":{"name":"Renewable and Sustainable Energy Reviews","volume":"225 ","pages":"Article 116206"},"PeriodicalIF":16.3,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144851912","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Beyond Estrogenicity: A Comparative Assessment of Bisphenol A and Its Alternatives in In Vitro Assays Questions Safety of Replacements.","authors":"Vanessa Srebny,Luise Henneberger,Maria König,Julia Huchthausen,Jenny Braasch,Beate I Escher","doi":"10.1021/acs.est.5c07018","DOIUrl":"https://doi.org/10.1021/acs.est.5c07018","url":null,"abstract":"Bisphenol A (BPA) is a well-known endocrine disruptor linked to numerous adverse health outcomes and was, therefore, banned in food-contact materials in the European Union. Numerous alternatives are now in commerce, but their health hazards are often inadequately addressed. This study compared BPA and 26 alternatives in six in vitro bioassays for cytotoxicity, endocrine disruption, xenobiotic metabolism, adaptive stress responses, mitochondrial toxicity, and neurotoxicity. We developed a cumulative specificity ratio score that integrates the degree of specific activation and overall toxicological activity across a test battery, enabling direct comparison of BPA with its alternatives. Several alternatives with close structural resemblance showed similar or stronger activation of the estrogen receptor α (ERα) than BPA. The lack of estrogenicity for several BPA alternatives, e.g., 4-(4-phenylmethoxyphenyl)sulfonylphenol (BPS-MPE), was accompanied by a shift toward peroxisome proliferator-activated receptor γ (PPARγ) activation, a receptor that is not relevant for BPA itself. Some alternatives additionally inhibited mitochondrial functions and caused neurotoxicity. Simulated phase I metabolism reduced the cytotoxicity of all alternatives except for methyl bis(4-hydroxyphenyl)acetate (Bz) and 4-[[4-(allyloxy)phenyl]sulfonyl]phenol (BPS-MAE), while estrogenic activity remained unchanged or decreased. This study demonstrates the utility of bioassays for rapid hazard assessment and comparative evaluation, suggesting that many BPA alternatives are regrettable substitutes, although 2,2,4,4-tetramethyl-1,3-cyclobutanediol (TMCD) is a potentially more benign alternative.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"76 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144857675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Decarbonization pathways in the transport sector: A review of integrated assessment models and future directions for model improvement","authors":"Yupeng Sang,&nbsp;Zezhou Zhang,&nbsp;Shuai Liu,&nbsp;Chunfeng Song","doi":"10.1016/j.rser.2025.116204","DOIUrl":"10.1016/j.rser.2025.116204","url":null,"abstract":"<div><div>The transportation sector is a major contributor to global greenhouse gas emissions, and decarbonization of this sector is essential to achieving climate goals. Integrated Assessment Models (IAMs) are crucial tools for evaluating the effectiveness various low-carbon technologies and policy interventions in the transport sector. This review critically examines the application of IAMs to assess decarbonization pathways, focusing on key strategies such as electrification, hydrogen fuel cells, and biofuels. This review employs a novel multi-dimensional framework to rigorously and transparently evaluate Integrated Assessment Models based on their openness, transport sector detail, technological and economic assumptions, key strengths, and limitations/trade-offs, thereby exploring their capabilities in capturing complex interactions between technological innovations, infrastructure requirements, and regional policy differences, and highlighting current challenges in modeling demand-side management, infrastructure development, and emerging technology integration. Despite these limitations, IAMs offer insights into the varied impacts of decarbonization strategies under alternative policy settings. The findings underscore the need for enhanced model capabilities to address gaps in regional adaptability, technology diffusion, and consumer behavior. This paper also discusses future directions for improving IAMs, including better integration of hydrogen and synthetic fuels, and a more detailed representation of logistics and supply chains. Improving these models will provide policymakers with a more accurate tool for guiding the transportation sector's transition towards deep decarbonization.</div></div>","PeriodicalId":418,"journal":{"name":"Renewable and Sustainable Energy Reviews","volume":"225 ","pages":"Article 116204"},"PeriodicalIF":16.3,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144842676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bacterial cellulose hydrogel incorporating epigallocatechin-3-gallate for improved treatment of third-degree burns","authors":"Zhongjuan Wang ,&nbsp;Ruyue Shi ,&nbsp;Mingcong Niu ,&nbsp;Cuiman Tang ,&nbsp;Shuangjun Li ,&nbsp;Xiuhua Zhao","doi":"10.1016/j.colsurfb.2025.115050","DOIUrl":"10.1016/j.colsurfb.2025.115050","url":null,"abstract":"<div><div>Bacterial cellulose (BC) is highly valued in biomedicine for its exceptional properties, though its lack of antimicrobial activity restricts its effectiveness in wound healing. To address this issue, a hydrogel incorporating epigallocatechin-3-gallate (EGCG) into BC (BCE hydrogel) was developed for treating third-degree burns. The thermal and chemical characteristics of the EGCG-loaded BC were analyzed through differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and Fourier transform infrared (FTIR) spectroscopy. The antimicrobial efficacy of the BCE hydrogel was confirmed, showing substantial biocidal effects against bacteria in burn wounds. The biocompatibility of the hydrogel was tested in vitro using the 3T3 mouse fibroblast cell line. Additionally, an in vivo wound healing study in female albino Wistar rats demonstrated that wounds treated with the BCE hydrogel healed more rapidly than those treated with BC alone or left untreated. These results indicate that the BCE hydrogel holds significant promise as a natural dressing for burn wound care.</div></div>","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"256 ","pages":"Article 115050"},"PeriodicalIF":5.6,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144852487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Revisiting the Methyl Group as a Nonconventional Electron Donor in Triel, Tetrel, Pnictogen, Chalcogen, and Halogen Bonding.","authors":"Hangyu Zhou, Shunhua Li, Qingzhong Li, Steve Scheiner","doi":"10.1021/acs.jpca.5c03722","DOIUrl":"https://doi.org/10.1021/acs.jpca.5c03722","url":null,"abstract":"<p><p>Quantum chemical calculations probe the characteristics of noncovalent interactions formed between a methyl group of MgMe₂ and a diverse set of p-block Lewis acids spanning the triel, tetrel, pnictogen, chalcogen, and halogen families. High-level ab initio computations show the absence of a formal lone pair on the C. Nonetheless, the highly polarized Mg-C bonds make the C a strong enough electron donor such that it can engage effectively in σ- and π-hole bonding interactions. The binding affinities and interaction characteristics vary markedly with the central atom identity, substituent effects, and molecular geometry of the Lewis acids. Triel compounds exhibit the strongest binding, often accompanied by significant structural reorganization and partial covalent character, exemplified by the stabilization of pentacoordinate carbon species reminiscent of S_N2 transition states. Conversely, tetrel, pnictogen, chalcogen, and halogen bonds cover a continuum from weak electrostatic and dispersion-dominated interactions to more heavily covalent bonding as the donor-acceptor interactions intensify.</p>","PeriodicalId":59,"journal":{"name":"The Journal of Physical Chemistry A","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144853932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Complementary-synergistic Fe-Ce bimetallic nanozyme enhances antimicrobial efficacy through intermodule cycling catalysis","authors":"Suyu Jiang,&nbsp;Xuemei Sun,&nbsp;Rong-Mei Kong,&nbsp;Weiheng Kong,&nbsp;Yan Zhao","doi":"10.1016/j.colsurfb.2025.115052","DOIUrl":"10.1016/j.colsurfb.2025.115052","url":null,"abstract":"<div><div>In contemporary antimicrobial research, the ability to comprehensively modulate bacterial redox metabolism stands at the forefront of improving therapeutic efficacy and mitigating antibiotic resistance. Single metal ions often exhibit limited capacity for redox modulation, which may accelerate resistance emergence. Bimetallic catalysts, by contrast, confer synergistic benefits in antimicrobial applications. Here, we present a bimetallic Fe/Ce system, constructed as a dual-enzyme-mimetic catalytic module (Fe/Ce-BTC), that harnesses the complementary advantages of both metals to enhance catalytic activity and stability. Iron initiates the Fenton reaction to produce hydroxyl radicals (•OH), while cerium sustains robust redox conversion between Ce^3 + and Ce⁴⁺. This integrated system disrupts bacterial metabolic networks on multiple levels, effectively overcoming bacterial compensatory mechanisms and exhibiting potent inhibitory effects against various pathogens. Collectively, these findings highlight the robust potential of bimetallic catalysts such as Fe/Ce-BTC to expand the scope of antimicrobial interventions, offering transformative strategies to address antibiotic resistance and improve clinical outcomes.</div></div>","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"256 ","pages":"Article 115052"},"PeriodicalIF":5.6,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144858399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}