Journal of Energy Chemistry最新文献

Tailoring Na-ion flux homogenization strategy towards long-cycling and fast-charging sodium metal batteries

IF 13.1 1区化学

Journal of Energy Chemistry Pub Date : 2024-11-24 DOI: 10.1016/j.jechem.2024.10.057

Lin Zhou , Shengwei Dong , Zhuomin Qiang , Chaoqun Zhang , Anran Shi , Yanbin Ning , Ziwei Liu , Cong Chen , Yan Zhang , Dalong Li , Shuaifeng Lou

{"title":"Tailoring Na-ion flux homogenization strategy towards long-cycling and fast-charging sodium metal batteries","authors":"Lin Zhou , Shengwei Dong , Zhuomin Qiang , Chaoqun Zhang , Anran Shi , Yanbin Ning , Ziwei Liu , Cong Chen , Yan Zhang , Dalong Li , Shuaifeng Lou","doi":"10.1016/j.jechem.2024.10.057","DOIUrl":"10.1016/j.jechem.2024.10.057","url":null,"abstract":"<div><div>Sodium metal batteries (SMBs) are promising candidates for next-generation energy storage devices owing to their excellent safety performance and natural abundance of sodium. However, the insurmountable obstacles of dendrite formation and quick capacity decay are caused by an unstable and inhomogeneous solid electrolyte interphase that resulted from the immediate interactions between the Na metal anode and organic liquid electrolyte. Herein, a customised glass fibre separator coupled with chitosan (CS@GF) was developed to modulate the sodium ion (Na<sup>+</sup>) flux. The CS@GF separator facilitates the Na<sup>+</sup> homogeneous deposition on the anode side through redistribution at the chitosan polyactive sites and by inhibiting the decomposition of the electrolyte to robust solid electrolyte interphase (SEI) formation. Multiphysics simulations show that chitosan incorporated into SMBs through the separator can make the local electric field around the anode uniform, thus facilitating the transfer of cations. Na|Na symmetric cells utilising a CS@GF separator exhibited an outstanding cycle stability of over 600 h (0.5 mA cm<sup>−2</sup>). Meanwhile, the Na|Na<sub>3</sub>V<sub>5</sub>(PO<sub>4</sub>)<sub>3</sub> full cell exhibited excellent fast-charging performance (93.47% capacity retention after 1500 cycles at 5C). This study presents a promising strategy for inhibiting dendrite growth and realizes stable Na metal batteries, which significantly boosts the development of high-performance SMBs.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 516-523"},"PeriodicalIF":13.1,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758844","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The electrochemical performance deterioration mechanism of LiNi0.83Mn0.05Co0.12O2 in aqueous slurry and a mitigation strategy

IF 13.1 1区化学

Journal of Energy Chemistry Pub Date : 2024-11-22 DOI: 10.1016/j.jechem.2024.11.015

Qingyu Dong , Jizhen Qi , Jian Wang , Lianghao Jia , Xuechun Wang , Liyi Zhao , Yuwei Qian , Haiyang Zhang , Hui Shao , Yanbin Shen , Liwei Chen

{"title":"The electrochemical performance deterioration mechanism of LiNi0.83Mn0.05Co0.12O2 in aqueous slurry and a mitigation strategy","authors":"Qingyu Dong , Jizhen Qi , Jian Wang , Lianghao Jia , Xuechun Wang , Liyi Zhao , Yuwei Qian , Haiyang Zhang , Hui Shao , Yanbin Shen , Liwei Chen","doi":"10.1016/j.jechem.2024.11.015","DOIUrl":"10.1016/j.jechem.2024.11.015","url":null,"abstract":"<div><div>Integrating high-nickel layered oxide cathodes with aqueous slurry electrode preparation routes holds the potential to simultaneously meet the demands for high energy density and low-cost production of lithium-ion batteries. However, the influence of dual exposure to air and liquid water as well as the heating treatment during aqueous slurry electrode processing on the high-nickel layered oxide electrode is yet to be understood. In this study, we systematically investigate the structural evolution and electrochemical behaviors when LiNi<sub>0.83</sub>Mn<sub>0.05</sub>Co<sub>0.12</sub>O<sub>2</sub> (NMC83) is subjected to aqueous slurry processing. It was observed that the crystal structure near the surface of NMC83 is partially reconstructed to contain a mixture of rock-salt and layered phases when exposed to water, leading to the deteriorated rate capability of the NMC83 electrodes. This partial surface reconstruction layer completely converts into a pure rock-salt phase upon cycling, accompanied by the release of O<sub>2</sub>, Ni leaching, catalyzed decomposition of the electrolyte, and the formation of a thick cathode electrolyte interphase layer. The byproducts of the electrolyte and dissolved Ni could shuttle to the Li metal side, causing a crosstalk effect that results in a thick and unstable solid electrolyte interphase layer on the Li surface. These in combination severely undermined the cycling stability of the NMC83 electrodes obtained from the aqueous slurry. A mitigation strategy using molecular self-assembly technique was demonstrated to enhance the surface stability of water-treated NMC83. Our findings offer new insights for tailoring ambient environment stability and aqueous slurry processability for ultra-high nickel layered oxide and other water-sensitive cathode materials.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 443-453"},"PeriodicalIF":13.1,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142757724","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In situ preparation of zincophilic covalent–organic frameworks with low surface work function and high rigidity to stabilize zinc metal anodes

IF 13.1 1区化学

Journal of Energy Chemistry Pub Date : 2024-11-22 DOI: 10.1016/j.jechem.2024.11.019

Yunyu Zhao, Kaiyong Feng, Yingjian Yu

{"title":"In situ preparation of zincophilic covalent–organic frameworks with low surface work function and high rigidity to stabilize zinc metal anodes","authors":"Yunyu Zhao, Kaiyong Feng, Yingjian Yu","doi":"10.1016/j.jechem.2024.11.019","DOIUrl":"10.1016/j.jechem.2024.11.019","url":null,"abstract":"<div><div>Zinc-ion batteries (ZIBs) are inexpensive and safe, but side reactions on the Zn anode and Zn dendrite growth hinder their practical applications. In this study, 1,3,5-triformylphloroglycerol (Tp) and various diamine monomers (<em>p</em>-phenylenediamine (Pa), benzidine (BD), and 4,4′’-diamino-<em>p</em>-terphenyl (DATP)) were used to synthesize a series of two-dimensional covalent-organic frameworks (COFs). The resulting COFs were named TpPa, TpBD, and TpDATP, respectively, and they showed uniform zincophilic sites, different pore sizes, and high Young’s moduli on the Zn anode. Among them, TpPa and TpBD showed lower surface work functions and higher ion transfer numbers, which were conducive to uniform galvanizing/stripping zinc and inhibited dendrite growth. Theoretical calculations showed that TpPa and TpBD had wider negative potential region and greater adsorption capacity for Zn<sup>2+</sup> than TpDATP, providing more electron donor sites to coordinate with Zn<sup>2+</sup>. Symmetric cells protected by TpPa and TpBD stably cycled for more than 2300 h, whereas TpDATP@Zn and the bare zinc symmetric cells failed after around 150 and 200 h. The full cells containing TpPa and TpBD modification layers also showed excellent cycling capacity at 1 A/g. This study provides comprehensive insights into the construction of highly reversible Zn anodes via COF modification layers for advanced rechargeable ZIBs.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 524-533"},"PeriodicalIF":13.1,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Opportunities and challenges in transformer neural networks for battery state estimation: Charge, health, lifetime, and safety

IF 13.1 1区化学

Journal of Energy Chemistry Pub Date : 2024-11-22 DOI: 10.1016/j.jechem.2024.11.011

Jingyuan Zhao , Xuebing Han , Yuyan Wu , Zhenghong Wang , Andrew F. Burke

{"title":"Opportunities and challenges in transformer neural networks for battery state estimation: Charge, health, lifetime, and safety","authors":"Jingyuan Zhao , Xuebing Han , Yuyan Wu , Zhenghong Wang , Andrew F. Burke","doi":"10.1016/j.jechem.2024.11.011","DOIUrl":"10.1016/j.jechem.2024.11.011","url":null,"abstract":"<div><div>Battery technology plays a crucial role across various sectors, powering devices from smartphones to electric vehicles and supporting grid-scale energy storage. To ensure their safety and efficiency, batteries must be evaluated under diverse operating conditions. Traditional modeling techniques, which often rely on first principles and atomic-level calculations, struggle with practical applications due to incomplete or noisy data. Furthermore, the complexity of battery dynamics, shaped by physical, chemical, and electrochemical interactions, presents substantial challenges for precise and efficient modeling. The Transformer model, originally designed for natural language processing, has proven effective in time-series analysis and forecasting. It adeptly handles the extensive, complex datasets produced during battery cycles, efficiently filtering out noise and identifying critical features without extensive preprocessing. This capability positions Transformers as potent tools for tackling the intricacies of battery data. This review explores the application of customized Transformers in battery state estimation, emphasizing crucial aspects such as charging, health assessment, lifetime prediction, and safety monitoring. It highlights the distinct advantages of Transformer-based models and addresses ongoing challenges and future opportunities in the field. By combining data-driven AI techniques with empirical insights from battery analysis, these pre-trained models can deliver precise diagnostics and comprehensive monitoring, enhancing performance metrics like health monitoring, anomaly detection, and early-warning systems. This integrated approach promises significant improvements in battery technology management and application.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 463-496"},"PeriodicalIF":13.1,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Single-atomic iron synergistic atom-cluster induce remote enhancement toward oxygen reduction reaction

IF 13.1 1区化学

Journal of Energy Chemistry Pub Date : 2024-11-20 DOI: 10.1016/j.jechem.2024.11.012

Yayin Li , Haomin Jiang , Liu Lin , Zemin Sun , Genban Sun

{"title":"Single-atomic iron synergistic atom-cluster induce remote enhancement toward oxygen reduction reaction","authors":"Yayin Li , Haomin Jiang , Liu Lin , Zemin Sun , Genban Sun","doi":"10.1016/j.jechem.2024.11.012","DOIUrl":"10.1016/j.jechem.2024.11.012","url":null,"abstract":"<div><div>The oxygen reduction reaction (ORR) could be effectively regulated by adjusting electron configurations and optimizing chemical bonds. Herein, we have achieved the modulation of electron distribution in Fe single atomic (Fe<sub>SA</sub>) sites through Fe atomic clusters (Fe<sub>AC</sub>) via a confined pyrolysis approach, thereby enhancing their intrinsic ORR activity. X-ray absorption spectroscopy has confirmed that the presence of iron atomic clusters could influence the electron distribution at Fe-N<sub>4</sub> sites. The Fe<sub>SA</sub>/Fe<sub>AC</sub>-NC catalyst exhibits a half-wave potential of 0.88 V, surpassing the individual Fe<sub>SA</sub>-NC structure. Through electronic structure analysis, it could be seen that iron atom clusters can affect Fe-N<sub>4</sub> sites through long-range effects, and then effectively lower reaction barriers and enhance the reaction kinetics at Fe-N<sub>4</sub> sites. The synthetic approach might pave the way for constructing highly active catalysts with tunable atomic structures, representing an effective and universal technique for electron modulation in M-N-C systems. This work provides enlightenment for the exploration of more efficient single-atom electrocatalysts and the optimization of the performance of atomic electrocatalysts. Furthermore, a zinc-air battery assembled using it on their cathode deliver a high peak power density (205.7 mW cm<sup>−2</sup>) and a high-specific capacity of 807.5 mA h g<sup>−1</sup>. This study offers a fresh approach to effectively enhance the synergistic interaction of between Fe single atom and Fe atomic clusters for improving ORR activity and energy storage.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 413-420"},"PeriodicalIF":13.1,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748439","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Insights into the doping functions on redox chemistry of layered Ni-rich cathodes

IF 13.1 1区化学

Journal of Energy Chemistry Pub Date : 2024-11-17 DOI: 10.1016/j.jechem.2024.11.005

Zhenxing Wang, Yong Chen

{"title":"Insights into the doping functions on redox chemistry of layered Ni-rich cathodes","authors":"Zhenxing Wang, Yong Chen","doi":"10.1016/j.jechem.2024.11.005","DOIUrl":"10.1016/j.jechem.2024.11.005","url":null,"abstract":"<div><div>In pursuit of low cost and long life for lithium-ion batteries in electric vehicles, the most promising strategy is to replace the commercial LiCoO<sub>2</sub> with a high-energy-density Ni-rich cathode. However, the irreversible redox couples induce rapid capacity decay, poor long-term cycling life, vast gas evolution, and unstable structure transformations of the Ni-rich cathode, limiting its practical applications. Element doping has been considered as the most promising strategy for addressing these issues. However, the relationships between element doping functions and redox chemistry still remain confused. To clarify this connection, this review places the dynamic evolution of redox couples (Li<sup>+</sup>, Ni<sup>2+</sup>/Ni<sup>3+</sup>/Ni<sup>4+</sup>-e<sup>−</sup>, O<sup>2−</sup>/O<em><sup>n</sup></em><sup>−</sup>/O<sub>2</sub>-e<sup>−</sup>) as the tree trunk. The material structure, degradation mechanisms, and addressing element doping strategies are considered as the tree branches. This comprehensive summary aims to provide an overview of the current understanding and progress of Ni-rich cathode materials. In the last section, promising strategies based on element doping functions are provided to encourage the practical application of Ni-rich cathodes. These strategies also offer a new approach for the development of other intercalated electrode materials in Na and K-based battery systems.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 386-412"},"PeriodicalIF":13.1,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748537","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Understanding characteristic electrochemical impedance spectral data of redox flow batteries with multiphysics modeling 利用多物理场建模理解氧化还原液流电池的特征电化学阻抗谱数据

IF 13.1 1区化学

Journal of Energy Chemistry Pub Date : 2024-11-17 DOI: 10.1016/j.jechem.2024.11.007

Ayoob Alhammadi, Abdulmonem Fetyan, Rahmat Agung Susantyoko, Ibrahim Mustafa, Musbaudeen O. Bamgbopa

{"title":"Understanding characteristic electrochemical impedance spectral data of redox flow batteries with multiphysics modeling","authors":"Ayoob Alhammadi, Abdulmonem Fetyan, Rahmat Agung Susantyoko, Ibrahim Mustafa, Musbaudeen O. Bamgbopa","doi":"10.1016/j.jechem.2024.11.007","DOIUrl":"10.1016/j.jechem.2024.11.007","url":null,"abstract":"<div><div>Electrochemical impedance spectroscopy (EIS) is a robust characterization method to probe prevalent (electro)chemical processes in an electrochemical system. Despite its extensive utilization in fuel cell research, the application of EIS in redox flow battery systems particularly for simplified two-electrode full-cell configurations is more limited. Herein we attempt to strengthen the understanding of characteristic EIS data of vanadium redox flow batteries by a combination of equivalent circuit modeling with a validated Multiphysics model analyzed under hydrodynamic conditions in frequency domain. Following a highlight of system linearity and stability concerns for EIS in redox flow batteries, we specifically use our combinatory approach to investigate the effects of different cell component properties on observed galvanostatic EIS spectra and accompanying fitted equivalent circuit element parameters. For the investigated two-electrode full-cell flow battery configuration with the same electrode material on both sides, the EIS spectral data is observed to be dominated by different mass or charge transport processes at different ends of the spectrum. Sensitivity analyses of both obtained EIS spectral data and fitted circuit elements parameters show that electrode morphological properties, membrane porosity, and electrolyte inflow conditions predominantly define the EIS spectral data. Insights from the type of analyses performed herein can facilitate flow battery cell/stack diagnostics and targeted performance improvement efforts.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 329-339"},"PeriodicalIF":13.1,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142719921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

“Tennis racket” hydrogel electrolytes to synchronously regulate cathode and anode of zinc-iodine batteries

IF 13.1 1区化学

Journal of Energy Chemistry Pub Date : 2024-11-17 DOI: 10.1016/j.jechem.2024.11.004

Tian-Yi Yang , Ting-Ting Su , Hai-Long Wang , Kun Li , Wen-Feng Ren , Run-Cang Sun

{"title":"“Tennis racket” hydrogel electrolytes to synchronously regulate cathode and anode of zinc-iodine batteries","authors":"Tian-Yi Yang , Ting-Ting Su , Hai-Long Wang , Kun Li , Wen-Feng Ren , Run-Cang Sun","doi":"10.1016/j.jechem.2024.11.004","DOIUrl":"10.1016/j.jechem.2024.11.004","url":null,"abstract":"<div><div>Aqueous zinc-iodine (Zn-I<sub>2</sub>) batteries show great potential as energy storage candidates due to their high-safety and low-cost, but confronts hydrogen evolution reaction (HER) and dendrite growth at anode side and polyiodide shuttling at cathode side. Herein, “tennis racket” (TR) hydrogel electrolytes were prepared by the co-polymerization and co-blending of polyacrylamide (PAM), sodium lignosulfonate (SL), and sodium alginate (SA) to synchronously regulate cathode and anode of Zn-I<sub>2</sub> batteries. “Gridline structure” of TR can induce the uniform transportation of Zn<sup>2+</sup> ions through the coordination effect to hinder HER and dendrite growth at anode side, as well as hit I<sub>3</sub><sup>−</sup> ions as “tennis” via the strong repulsion force to avoid shuttle effect at cathode side. The synergistic effect of TR electrolyte endows Zn-Zn symmetric battery with high cycling stability over 4500 h and Zn-I<sub>2</sub> cell with the stably cycling life of 15000 cycles at 5 A g<sup>−1</sup>, outperforming the reported works. The practicability of TR electrolyte is verified by flexible Zn-I<sub>2</sub> pouch battery. This work opens a route to synchronously regulate cathode and anode to enhance the electrochemical performance of Zn-I<sub>2</sub> batteries.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 454-462"},"PeriodicalIF":13.1,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142757725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Influence of p-π conjugation in π-π stacking molecules on passivating defects for efficient and stable perovskite solar cells π-π堆积分子中的 p-π 共轭对高效稳定的过氧化物太阳能电池钝化缺陷的影响

IF 13.1 1区化学

Journal of Energy Chemistry Pub Date : 2024-11-17 DOI: 10.1016/j.jechem.2024.11.009

Changqing Liu , Benlin He , Fanliang Bao , Qihang Cheng , Zhe Yang , Meng Wei , Zhiwei Ma , Haiyan Chen , Jialong Duan , Qunwei Tang

{"title":"Influence of p-π conjugation in π-π stacking molecules on passivating defects for efficient and stable perovskite solar cells","authors":"Changqing Liu , Benlin He , Fanliang Bao , Qihang Cheng , Zhe Yang , Meng Wei , Zhiwei Ma , Haiyan Chen , Jialong Duan , Qunwei Tang","doi":"10.1016/j.jechem.2024.11.009","DOIUrl":"10.1016/j.jechem.2024.11.009","url":null,"abstract":"<div><div>A comprehensive understanding of the relevance between molecular structure and passivation ability to screen efficient modifiers is essential for enhancing the performance of perovskite solar cells (PSCs). Here, three similar <em>π</em>-<em>π</em> stacking molecules namely benzophenone (BPN), diphenyl sulfone (DPS), and diphenyl sulfoxide (DPSO) are used as back-interface modifiers in carbon-based CsPbBr<sub>3</sub> PSCs. After investigation, the results demonstrate the positive effect of the <em>p</em>-<em>π</em> conjugation characteristic in <em>π</em>-<em>π</em> stacking molecules on maximizing their passivation ability. The <em>p</em>-<em>π</em> conjugation of DPSO enables a higher coordinative activity of oxygen atom in its S<img>O group than that in O<img>S<img>O group of DPS and C<img>O group of BPN, which gives a superior passivation effect of DPSO on defects of perovskite films. The modification of DPSO also significantly improves the <em>p</em>-type behavior of perovskite films and the back-interfacial energetics matching, inducing an increase of hole extraction and a decrease of energy loss. Finally, the unencapsulated carbon-based CsPbBr<sub>3</sub> PSCs with DPSO achieve a maximum power conversion efficiency of 10.60% and outstanding long-term stability in high-temperature, high-humidity (85 °C, 85% relative humidity) air environment. This work provides insights into the influence of the structure of <em>π</em>-<em>π</em> stacking molecules on their ability to improve the perovskite films quality and therefore the PSCs performance.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 282-289"},"PeriodicalIF":13.1,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701605","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Insights into reaction mechanisms: Water’s role in enhancing in-situ hydrogen production from methane conversion in sandstone

IF 13.1 1区化学

Journal of Energy Chemistry Pub Date : 2024-11-17 DOI: 10.1016/j.jechem.2024.10.055

Keju Yan , Krishna Prasad Shrestha , Mohamed Amine Ifticene , Qingwang Yuan

{"title":"Insights into reaction mechanisms: Water’s role in enhancing in-situ hydrogen production from methane conversion in sandstone","authors":"Keju Yan , Krishna Prasad Shrestha , Mohamed Amine Ifticene , Qingwang Yuan","doi":"10.1016/j.jechem.2024.10.055","DOIUrl":"10.1016/j.jechem.2024.10.055","url":null,"abstract":"<div><div>In-situ conversion of subsurface hydrocarbons via electromagnetic (EM) heating has emerged as a promising technology for producing carbon-zero and affordable hydrogen (H<sub>2</sub>) directly from natural gas reservoirs. However, the reaction pathways and role of water as an additional hydrogen donor in EM-assisted methane-to-hydrogen (CH<sub>4</sub>-to-H<sub>2</sub>) conversion are poorly understood. Herein, we employ a combination of lab-scale EM-heating experiments and reaction modeling analyses to unravel reaction pathways and elucidate water’s role in enhancing hydrogen production. The labelled hydrogen isotope of deuterium oxide (D<sub>2</sub>O) is used to trace the sources of hydrogen. The results show that water significantly boosts hydrogen yield via coke gasification at around 400 °C and steam methane reforming (SMR) reaction at over 600 °C in the presence of sandstone. Water-gas shift reaction exhibits a minor impact on this enhancement. Reaction mechanism analyses reveal that the involvement of water can initiate auto-catalytic loop reactions with methane, which not only generates extra hydrogen but also produces OH radicals that enhance the reactants’ reactivity. This work provides crucial insights into the reaction mechanisms involved in water-carbon-methane interactions and underscores water’s potential as a hydrogen donor for in-situ hydrogen production from natural gas reservoirs. It also addresses the challenges related to carbon deposition and in-situ catalyst regeneration during EM heating, thus derisking this technology and laying a foundation for future pilots.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 353-364"},"PeriodicalIF":13.1,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0