Energy & FuelsPub Date : 2025-04-02DOI: 10.1021/acs.energyfuels.5c0024310.1021/acs.energyfuels.5c00243
Mônica C. Santos*, Dayane M. Coutinho, Clarisse L. Torres, Thamara A. Barra, Victor G. K. Cardoso, Raquel V. S. Silva, Daniel S. Dubois, Joelma P. Lopes, Francisco R. Aquino Neto and Débora A. Azevedo*,
{"title":"Pixel-Based Chemometric Analysis of Pre-Salt Crude Oils: Advancing GC×GC-TOFMS for Reservoir Characterization","authors":"Mônica C. Santos*, Dayane M. Coutinho, Clarisse L. Torres, Thamara A. Barra, Victor G. K. Cardoso, Raquel V. S. Silva, Daniel S. Dubois, Joelma P. Lopes, Francisco R. Aquino Neto and Débora A. Azevedo*, ","doi":"10.1021/acs.energyfuels.5c0024310.1021/acs.energyfuels.5c00243","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00243https://doi.org/10.1021/acs.energyfuels.5c00243","url":null,"abstract":"<p >The chemical composition of crude oil provides clues about its origins, well dynamics, and reservoir performance. Target petroleum analysis using comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC-TOFMS) has been widely used for individual identification and group-type analysis. However, untargeted analysis is sometimes faster and more effective, especially with large, complex GC×GC-TOFMS data sets. The pixel-based preprocessing approach to treating GC×GC-TOFMS data facilitates fast, easy exploration of regions or compounds in two-dimensional chromatograms, which are important for comparing complex matrices using chemometric tools. In this context, to help reservoir geochemistry researchers mitigate exploration and development risks, we investigated subtle differences in the light hydrocarbon compositions of crude oil. Fifty Brazilian crude oil samples from the Búzios presalt reservoir in the Santos Basin were evaluated. Total ion chromatograms were used to construct concatenated matrices, which were aligned, normalized, and subjected to multivariate statistical analysis. Unsupervised principal component analysis indicated minor differences between the samples, which may correspond to differences in the presalt geological formations. Supervised orthogonal partial least-squares discriminant analysis determined whether each sample came from the Barra Velha or Itapema formation; the Barra Velha formation contains lighter hydrocarbons than the Itapema formation. Additional exploratory analyses indicated slight differences among the oil samples, demonstrating that light hydrocarbons can be investigated at the molecular level using GC×GC-TOFMS high-throughput data. Pixel-based chemometrics thus proves to be a rapid, innovative approach to assisting fluid distribution in a petroleum reservoir and a faster alternative to current methodologies for processing and analyzing GC×GC-TOFMS data.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 15","pages":"7204–7213 7204–7213"},"PeriodicalIF":5.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.energyfuels.5c00243","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Energy & FuelsPub Date : 2025-04-02DOI: 10.1021/acs.energyfuels.5c0033310.1021/acs.energyfuels.5c00333
Mingyu Yin, Runguo Zheng, Zhiyuan Wang and Yanguo Liu*,
{"title":"Advances in Defect Engineering Enhances Lithium-Ion Battery Anodes","authors":"Mingyu Yin, Runguo Zheng, Zhiyuan Wang and Yanguo Liu*, ","doi":"10.1021/acs.energyfuels.5c0033310.1021/acs.energyfuels.5c00333","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00333https://doi.org/10.1021/acs.energyfuels.5c00333","url":null,"abstract":"<p >Recently, niobium-based oxides represent promising anodes due to various advantages, including enhanced safety, nontoxicity, and excellent structure stability. Unfortunately, the unsatisfactory ionic/electronic conductivity hampers the widespread application of such anodes in lithium-ion batteries (LIBs). As a solution to address the above issues, numerous efforts have been dedicated to electrochemical performance enhancements of the anodes, such as cyclic life and rate capacity, via defect engineering. First, the crystal structure, working mechanism, and underlying challenges of niobium-based oxides are briefly introduced. Alternatively, the review summarizes research progress on strategies to introduce various types of defects. Centered around aforementioned positive effects of defects on electrochemical performances of niobium-based oxides, we present an analysis of how defects improve ionic/electronic conductivity, followed by providing a detailed classification of intrinsic mechanisms behind electrochemical performance enhancement. Finally, this review provides an outlook on challenges and future research directions, offering perspectives to stimulate new ideas in developing defect-rich niobium-based oxide anodes.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 14","pages":"6728–6751 6728–6751"},"PeriodicalIF":5.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806763","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Energy & FuelsPub Date : 2025-04-01DOI: 10.1021/acs.energyfuels.4c0621810.1021/acs.energyfuels.4c06218
Toshiyuki Saegusa, Hayato Sakai*, Nikolai V. Tkachenko* and Taku Hasobe*,
{"title":"Integration of Multiple-Photon Excitation of Quantum Dots and Singlet Fission of Pentacene Dimers in Inorganic and Organic Hybrid Systems","authors":"Toshiyuki Saegusa, Hayato Sakai*, Nikolai V. Tkachenko* and Taku Hasobe*, ","doi":"10.1021/acs.energyfuels.4c0621810.1021/acs.energyfuels.4c06218","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c06218https://doi.org/10.1021/acs.energyfuels.4c06218","url":null,"abstract":"<p >Singlet fission (SF) is a spin-allowed multiexciton generation (MEG) process, where one singlet exciton (S<sub>1</sub>) splits into two triplet excitons (2T<sub>1</sub>) in two nearby molecules (theoretical maximum triplet quantum yield: 2). In contrast, bi- and multiexciton states of quantum dots (QDs) have been generated by exciting them at high excitation density (multiple-photon excitation). Here, we propose combining these materials for the integrated MEG (iMEG) process using 6,13-bis(triisopropylsilylethynyl)pentacene (TP) dimer [(TP)<sub>2</sub>]-modified CdSe QD (CdSeQD) hybrids. Upon photoexcitation of CdSeQD with multiple-photon excitation, a sequential photoinduced process from the multiexciton state (CdSeQD) to SF [(TP)<sub>2</sub>] occurred through singlet–singlet energy transfer (EnT) from CdSeQD to TP. The number of triplet excitons generated per CdSeQD (<i>N</i><sub>T</sub>) increased up to ∼4.9 ± 0.7 at higher excitation intensities. Our proposed inorganic–organic hybrid system demonstrates a novel exciton amplification process for various future uses, such as solar energy conversion, optoelectronics, and biological applications.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 14","pages":"7031–7038 7031–7038"},"PeriodicalIF":5.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Energy & FuelsPub Date : 2025-04-01DOI: 10.1021/acs.energyfuels.5c0009210.1021/acs.energyfuels.5c00092
Obeten Mbang Eze, Zeliha Ertekin and Mark D. Symes*,
{"title":"Decoupled Water Electrolysis at High Current Densities Using a Solution-Phase Redox Mediator","authors":"Obeten Mbang Eze, Zeliha Ertekin and Mark D. Symes*, ","doi":"10.1021/acs.energyfuels.5c0009210.1021/acs.energyfuels.5c00092","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00092https://doi.org/10.1021/acs.energyfuels.5c00092","url":null,"abstract":"<p >The electrolysis of water using renewably generated power to give “green” hydrogen is a key enabler of the putative hydrogen economy. Conventional electrolysis systems are effective for hydrogen production when steady power inputs are available, but tend to handle intermittent or low-power inputs much less well, in particular because it becomes very difficult to ensure separation of the hydrogen and oxygen products under intermittent or low-power regimes. Decoupled electrolysis offers one potential solution to the problem of interfacing electrolyzers with intermittent and low-power inputs: by allowing the hydrogen and oxygen products of electrolysis to be produced in separate devices to each other, systems in which gas mixtures are inherently much less likely to form can be designed. However, in general, decoupled electrolysis systems operate at rather low current densities (up to a few hundred mA/cm<sup>2</sup>), which detracts somewhat from their suitability for applications. Herein, we constructed a flow system device for decoupled hydrogen production using a solution of the polyoxometalate silicotungstic acid as a liquid-phase decoupling agent. This mediator has been explored as a mediator for decoupled hydrogen evolution before, but in this work, we significantly expanded the range of current densities over which decoupling is demonstrated, from 50 mA/cm<sup>2</sup> up to 1.35 A/cm<sup>2</sup>, the latter of which exceeds the current densities at which commercial alkaline electrolyzers operate and which begins to approach those achievable with proton exchange membrane electrolyzers. Essentially complete decoupling of the hydrogen and oxygen generation processes is achieved across this full range of current densities, suggesting that rapid oxygen production with coupled redox mediator reduction is possible without compromising on decoupling efficiency.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 14","pages":"7129–7136 7129–7136"},"PeriodicalIF":5.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.energyfuels.5c00092","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Energy & FuelsPub Date : 2025-04-01DOI: 10.1021/acs.energyfuels.4c0553410.1021/acs.energyfuels.4c05534
Suraj Goswami, Shankab J. Phukan, Gaurav Gupta, Ranjith Krishna Pai*, Sujoy Rana*, Manas Roy*, Pravin Kumar* and Somenath Garai*,
{"title":"Direct Urea Fuel Cells: A Review on Roadmap, Mechanism, Bottleneck, and Future Perspective","authors":"Suraj Goswami, Shankab J. Phukan, Gaurav Gupta, Ranjith Krishna Pai*, Sujoy Rana*, Manas Roy*, Pravin Kumar* and Somenath Garai*, ","doi":"10.1021/acs.energyfuels.4c0553410.1021/acs.energyfuels.4c05534","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c05534https://doi.org/10.1021/acs.energyfuels.4c05534","url":null,"abstract":"<p >Direct urea fuel cells (DUFCs) have emerged as an exceptionally viable option for sustainable energy production by utilizing urine- or urea-contaminated wastewater or AdBlue as fuel. In spite of the significant theoretical gravimetric power density, the poor electro-kinetics of the urea oxidation reaction (UOR) obstruct its operational feasibility. Therefore, an improvement of the electrode materials is needed to realize a faster electro-kinetic rate to achieve the scaled-up goals of DUFCs. This review is essential to address the latest developments in urea electrolysis and its mechanistic pathways as explored by the scientific community. Consequently, a panoramic view of the origins, underlying principles, and mechanisms of the UOR-based fuel cells are also highlighted. Additionally, the contemporary progress on transition metal oxides and their alloy-based, mixed oxide-based “nanocarbon” materials, such as carbon nanotubes, and graphene-based electrocatalysts for UOR in alkaline electrolytes discussed in detail. Furthermore, upon optimizing energy efficiency and mitigating capital investments, the economic viability of various catalytic designs is also highlighted, including structural modulation and elemental doping to accelerate the rate of UOR from the very outset to the most recent findings. Finally, the significant challenges impeding the advancement of UOR catalyst-derived DUFCs are also laid out with futuristic perspectives.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 14","pages":"6709–6727 6709–6727"},"PeriodicalIF":5.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Energy & FuelsPub Date : 2025-04-01DOI: 10.1021/acs.energyfuels.4c0634910.1021/acs.energyfuels.4c06349
Amin Memarian, and , Negahdar Hosseinpour*,
{"title":"Poly(dimethylsiloxane)-Doped Alkylated Reduced Graphene Oxide Nanostructured Antifoam for Oil Phase","authors":"Amin Memarian, and , Negahdar Hosseinpour*, ","doi":"10.1021/acs.energyfuels.4c0634910.1021/acs.energyfuels.4c06349","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c06349https://doi.org/10.1021/acs.energyfuels.4c06349","url":null,"abstract":"<p >Foam formation in surface facilities of oil production units, especially central separators, may interrupt or even disrupt the oil production process. In this work, an innovative approach was developed to enhance the performance of poly(dimethylsiloxane) (PDMS) as a widely used antifoam in the oil/gas industry. Alkylated reduced graphene oxide (RGO-ODA) nanosheets were synthesized and incorporated into the PDMS solution to prepare PDMS-doped RGO-ODA antifoam for the oil phase. Graphene oxide (GO) nanosheets were prepared from a graphite powder following the modified Hummers’ method. The GO was alkylated and reduced via a reactive reduction by octadecyl amine to synthesize RGO-ODA branched nanosheets, readily dispersed in the oil phase. The textural and structural characteristics of the nanostructures were characterized by field emission scanning electron microscopy/energy dispersive spectroscopy (FESEM/EDS), X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman, and thermogravimetric analysis/derivative thermogravimetry (TGA/DTG) analyses. A foamy dead oil sample was blended with xylene, and the foamability and foam stability of the model oil in the presence and absence of the antifoam were measured in a standard gas bubbling column. In addition, dynamic surface tension was employed to reveal the mechanism of antifoaming. Results indicate that the synthesized RGO-ODA has lower oxygen-containing groups, higher disorder structure, and almost the same sheet domains when compared with starting GO. The almost amorphous structure of the RGO-ODA arises from the exfoliation and alkylation of the graphene nanosheets. The RGO-ODA nanosheets have rough surfaces with sharp edges. Incorporation of the RGO-ODA nanosheets into the PDMS solution enhances the entrance, spreading, and bridging of oil-phase foaming films, as observed in the dynamic surface tension data. This synergistic effect leads to higher antifoaming efficiencies and stronger thermal durability when compared to the PDMS alone, offering a promising solution for industrial applications requiring oil-phase foam elimination, achieved with reduced silicone contamination.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 14","pages":"6791–6802 6791–6802"},"PeriodicalIF":5.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806707","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Nb/Al Codoping Strategy for Nickel-Rich Cathodes to Improve Rate and Cycle Performance of Lithium-Ion Batteries","authors":"Jiapeng Lu, Chen Yan, Xin Min*, Yangai Liu, Ruiyu Mi, Xiaowen Wu, Wei Wang, Zhaohui Huang and Minghao Fang*, ","doi":"10.1021/acs.energyfuels.4c0608310.1021/acs.energyfuels.4c06083","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c06083https://doi.org/10.1021/acs.energyfuels.4c06083","url":null,"abstract":"<p >Nickel-rich layered LiNi<sub>0.8</sub>Co<sub>0.1</sub>Mn<sub>0.1</sub>O<sub>2</sub> holds significant potential as a commercially viable cathode material. However, its widespread application is still hindered by inherent challenges, including poor structural stability, cycling performance, and rate capability. This study presents an Nb/Al codoped Li(Ni<sub>0.8</sub>Co<sub>0.1</sub>Mn<sub>0.1</sub>)<sub>0.98</sub>Nb<sub>0.01</sub>Al<sub>0.01</sub>O<sub>2</sub> single-crystal ternary cathode material developed to overcome these challenges. The Nb and Al dopants are uniformly distributed throughout the material, resulting in the formation of an α-LiAlO<sub>2</sub> protective layer on the surface. This protective layer effectively reduces electrolyte degradation and facilitates Li<sup>+</sup> diffusion. Additionally, some of the TM-O bonds are replaced by Nb–O and Al–O bonds, which minimizes the intermixing of Li<sup>+</sup> and Ni<sup>2+</sup>, thus improving the stability of the layered structure. The Nb/Al codoped nickel-rich single-crystal ternary cathode material exhibits superior cycling stability and rate performance compared to the undoped material. After 200 cycles at 1 C within the voltage window of 2.75–4.5 V, the NA-SNCM delivers a specific capacity retention rate of 76.11% (133.65 mA h g<sup>–1</sup>). Notably, the undoped counterpart displays severe microcracking, whereas the doped samples maintain intact crystallinity.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 14","pages":"7057–7068 7057–7068"},"PeriodicalIF":5.2,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Energy & FuelsPub Date : 2025-03-31DOI: 10.1021/acs.energyfuels.5c0013110.1021/acs.energyfuels.5c00131
Yang Liu*, Huiyun Mu, Xiaofang Lv*, Yisong Yu*, Qianli Ma, Chuanshuo Wang, Xiaoyan Li, Shidong Zhou and Bingcai Sun,
{"title":"Molecular Insights on Methane Hydrate Dissociation in the Presence/Absence of Poly-N-vinylcaprolactam: Effects of Gas Saturation and Nanobubbles","authors":"Yang Liu*, Huiyun Mu, Xiaofang Lv*, Yisong Yu*, Qianli Ma, Chuanshuo Wang, Xiaoyan Li, Shidong Zhou and Bingcai Sun, ","doi":"10.1021/acs.energyfuels.5c0013110.1021/acs.energyfuels.5c00131","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00131https://doi.org/10.1021/acs.energyfuels.5c00131","url":null,"abstract":"<p >Natural gas hydrate (NGH) is a promising clean energy source with abundant reserves. Unveiling the mechanisms controlling hydrate dissociation and finding chemical agents that promote hydrate dissociation are of great significance for achieving controllable exploitation of NGH. This study utilized molecular dynamics simulation to investigate the dissociation mechanism of hydrates under different gas saturation levels as well as the influence of poly-<i>N</i>-vinylcaprolactam (PVCap) on hydrate dissociation. The simulation results indicate that in the systems without PVCap, the release rate of methane molecules from the methane hydrate increases with the methane content in the initial liquid phase. The systems with different methane saturations undergo different hydrate dissociation stages. For the systems with PVCap, it was found that PVCap has a certain promoting effect on methane hydrate dissociation; the promotion effect decreased with the increase in methane content in the initial liquid phase. The mechanism by which PVCap on methane hydrate dissociation was proposed: PVCap can adsorb methane molecules, promoting the formation of nanobubbles, reducing methane concentration in the liquid phase, thereby increasing the driving force for methane hydrate dissociation, and promoting the dissociation of methane hydrates.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 14","pages":"6832–6848 6832–6848"},"PeriodicalIF":5.2,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Energy & FuelsPub Date : 2025-03-31DOI: 10.1021/acs.energyfuels.4c0633710.1021/acs.energyfuels.4c06337
Zahra Almahmoodi, Mostafa Gilavand and Behnam Sedaee*,
{"title":"Deep Learning-Based Prediction of Hydrogen Dynamics and Mixing Phenomenon in Fractured Aquifers for Underground Hydrogen Storage","authors":"Zahra Almahmoodi, Mostafa Gilavand and Behnam Sedaee*, ","doi":"10.1021/acs.energyfuels.4c0633710.1021/acs.energyfuels.4c06337","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c06337https://doi.org/10.1021/acs.energyfuels.4c06337","url":null,"abstract":"<p >Underground Hydrogen Storage (UHS) in aquifers is a promising solution. Some aquifers contain natural fractures that enhance permeability, improving injection and recovery. However, these fractures may also intensify mixing and channeling, reducing overall storage efficiency and hydrogen purity. To address these challenges, designing suitable UHS scenarios is essential to minimize hydrogen mixing and uneven distribution within the aquifer. Numerical simulations help optimize UHS operations, yet their high computational cost necessitates efficient alternatives. This study develops a grid-based proxy model using U-Net and Modified U-Net architectures to predict mixing maps and fluid flow dynamics without solving complex physical equations. The model achieves over 96% accuracy in capturing key flow behaviors like channeling and overriding while significantly reducing computational time. Results demonstrate that the optimized Modified U-Net reduces training time while maintaining prediction accuracy. The proposed framework enables rapid evaluation of different scenarios, enhancing decision-making for UHS optimization. It is applicable across various aquifer conditions, including different heterogeneities and operational settings, making it a cost-effective alternative to conventional numerical simulations.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 14","pages":"7069–7091 7069–7091"},"PeriodicalIF":5.2,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806647","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synergistic Catalysis by Heterostructures Constructed with Transition Metals for Lithium–Sulfur Batteries","authors":"Lujie Cao, Yufei Zhao, Yun Cao, Linkai Peng, Chuannan Geng* and Wei Lv*, ","doi":"10.1021/acs.energyfuels.5c0057210.1021/acs.energyfuels.5c00572","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00572https://doi.org/10.1021/acs.energyfuels.5c00572","url":null,"abstract":"<p >Lithium–sulfur batteries (LSBs) show great potential as next-generation energy storage systems due to their high energy density. However, their practical application is hindered by the slow conversion of lithium polysulfides (LiPSs) and the resulting severe shuttle effect. Catalysis has emerged as a promising solution to address these challenges, but a single catalyst often falls short of meeting all of the requirements for efficient LiPS conversion. This review highlights synergistic catalytic strategies employing metal-based heterostructures with engineered interfaces between distinct materials having complementary properties, including metal/metal compound-based heterostructures, metal-doped metal-compound-based heterostructures, and single-atom heterostructures. These catalysts exhibit exceptional performance by accelerating LiPS conversion to enhance sulfur utilization and enable long-cycling stability. The methods with advanced characterization techniques and theoretical approaches to understand the functions of heterostructures are also discussed, offering insights into catalyst design and optimization. This review provides perspectives and future directions to advance LSB commercialization through catalyst development.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 14","pages":"6752–6779 6752–6779"},"PeriodicalIF":5.2,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}