RSC Applied Interfaces最新文献

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One-pot synthesis of necklace-like MOF@CNTs: a universal strategy for enhancing molecular separation performance in mixed-matrix membranes† 一锅合成项链状MOF@CNTs:提高混合基质膜分子分离性能的通用策略†
RSC Applied Interfaces Pub Date : 2025-04-30 DOI: 10.1039/D5LF00016E
Xuemeng Jia, Zhenting Song, Qiaomei Li, Jiacheng Huang, Xiaowen Zhai, Lei Tian, Jinlou Li, Zhihua Qiao, Yuhui Luo and Dongen Zhang
{"title":"One-pot synthesis of necklace-like MOF@CNTs: a universal strategy for enhancing molecular separation performance in mixed-matrix membranes†","authors":"Xuemeng Jia, Zhenting Song, Qiaomei Li, Jiacheng Huang, Xiaowen Zhai, Lei Tian, Jinlou Li, Zhihua Qiao, Yuhui Luo and Dongen Zhang","doi":"10.1039/D5LF00016E","DOIUrl":"https://doi.org/10.1039/D5LF00016E","url":null,"abstract":"<p >Metal–organic frameworks (MOFs) are usually employed as fillers within a polymer matrix to fabricate mixed matrix membranes (MMMs). However, the aggregation of MOFs, particularly at the nanoscale, frequently leads to defects at the filler–polymer interface, making it difficult to form continuous molecular transport channels. Here, a series of necklace-like MOF@carbon nanotubes (CNTs) were synthesized using a straightforward one-pot technique. Specifically, CNTs as a “lead wire” with substantial aspect ratios were first used to induce the self-assembly growth of MOFs as “beads” along the CNTs' longitudinal axis, for the preparation of necklace-like MOF@CNTs. Subsequently, necklace-like MOF@CNTs MMMs were obtained by interfacial polymerization or solvent evaporation. MOF@CNTs have good dispersibility in the polymer matrix and the MOFs within the necklace are in close contact and effectively link the MOF window to create micrometer-scale continuous molecular transport channels that can improve the separation performance of MMMs. For ZIF-90/PA mixed matrix nanofiltration membranes, the water permeability of M-ZIF-90@CNTs (27.15 L m<small><sup>−2</sup></small> h<small><sup>−1</sup></small> bar<small><sup>−1</sup></small>) is greater than that of M-0 (8.11 L m<small><sup>−2</sup></small> h<small><sup>−1</sup></small> bar<small><sup>−1</sup></small>). Furthermore, the dye rejection efficiency has been increased from 96.60% of M-0 to 99.55% of M-ZIF-90@CNTs and the rejection of NaCl remains relatively low across all nanofiltration membranes, at less than 10%, which has significant advantages in the field of dye/salt separation. For ZIF-90/PSf mixed matrix gas separation membranes, MPSf-ZIF-90@CNTs also exhibit remarkable CO<small><sub>2</sub></small>/N<small><sub>2</sub></small> separation selectivity. Importantly, the proposed strategy for preparing necklace-like MOF@CNTs is universally applicable, and can be easily extended to other MOFs, such as ZIF-8, MOF-801, UiO-66, and UiO-66-NH<small><sub>2</sub></small>, representing a universal strategy for constructing necklace-like MOF@CNTs structures.</p>","PeriodicalId":101138,"journal":{"name":"RSC Applied Interfaces","volume":" 4","pages":" 1041-1050"},"PeriodicalIF":0.0,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/lf/d5lf00016e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144573076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of improved MnOx nanoparticles for the oxygen reduction reaction† 用于氧还原反应的改性MnOx纳米颗粒的研制
RSC Applied Interfaces Pub Date : 2025-04-24 DOI: 10.1039/D5LF00090D
Marco A. H. Vogt, Alisson S. Thill, Carlos Escudero, Marcus V. Castegnaro and Fabiano Bernardi
{"title":"Development of improved MnOx nanoparticles for the oxygen reduction reaction†","authors":"Marco A. H. Vogt, Alisson S. Thill, Carlos Escudero, Marcus V. Castegnaro and Fabiano Bernardi","doi":"10.1039/D5LF00090D","DOIUrl":"https://doi.org/10.1039/D5LF00090D","url":null,"abstract":"<p >Manganese oxides (MnO<small><sub><em>x</em></sub></small>) present interesting properties for the oxygen reduction reaction (ORR), but little is known about the influence of their properties on this application. In this work, MnO<small><sub><em>x</em></sub></small> nanostructures were synthesized with different chemical states (MnO<small><sub>2</sub></small> and Mn<small><sub>2</sub></small>O<small><sub>3</sub></small>) with or without pore ordering. The samples were used in the ORR at 500 °C before and after reduction treatment at this same temperature. The results point to an improved performance of Mn<small><sub>3</sub></small>O<small><sub>4</sub></small> in comparison with MnO<small><sub>2</sub></small> or Mn<small><sub>2</sub></small>O<small><sub>3</sub></small> compounds. These results are further verified with kinetic Monte Carlo simulations. Furthermore, it is demonstrated that the samples without pore ordering present better results towards H<small><sub>2</sub></small>O production. This means that pore ordering is not important for this reaction, which simplifies the future design of MnO<small><sub><em>x</em></sub></small> nanostructures for ORR application.</p>","PeriodicalId":101138,"journal":{"name":"RSC Applied Interfaces","volume":" 4","pages":" 922-930"},"PeriodicalIF":0.0,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/lf/d5lf00090d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144573085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Carbon fibres as electrodes for the recovery of nickel from industrial wastewater† 碳纤维电极用于工业废水中镍的回收
RSC Applied Interfaces Pub Date : 2025-04-24 DOI: 10.1039/D4LF00409D
Annu Pandey, Anton Bjurström, Björn K. Birdsong, Ronald Arvidsson, Paya Rabii Dezfoli, Kåre Tjus, Sofia Andrée, Stefan Sädbom, Anders Björk and Richard T. Olsson
{"title":"Carbon fibres as electrodes for the recovery of nickel from industrial wastewater†","authors":"Annu Pandey, Anton Bjurström, Björn K. Birdsong, Ronald Arvidsson, Paya Rabii Dezfoli, Kåre Tjus, Sofia Andrée, Stefan Sädbom, Anders Björk and Richard T. Olsson","doi":"10.1039/D4LF00409D","DOIUrl":"https://doi.org/10.1039/D4LF00409D","url":null,"abstract":"<p >This study presents an innovative approach to the recovery of nickel from industrial wastewater using cost-effective carbon fiber electrodes, aiming to provide a sustainable and scalable solution for industrial effluent management. Carbon fibers offer unique benefits in electrochemical recovery processes due to their high surface area, excellent conductivity, mechanical durability, and compatibility with low-cost production. The optimized conditions, including a deposition potential of 4 V, pH 3.5, and temperature of 60 °C, achieved a high nickel recovery efficiency of 90%, with minimal energy consumption at 3 kW h per kilogram of nickel. This efficiency was verified through Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray (EDX) analyses, which revealed uniform and dense nickel coatings on the carbon fibers, even under continuous operation. Fourier Transform Infrared Spectroscopy (FTIR) and X-ray diffraction (XRD) confirmed successful nickel deposition and modifications to the carbon fiber surface chemistry, enhancing the adsorption and reduction of nickel ions. Using carbon fiber electrodes in this process addresses several limitations in traditional electrode materials by reducing costs, improving scalability, and supporting continuous, large-scale nickel recovery. This method offers a viable alternative to conventional electrochemical metal recovery and contributes to circular resource utilization by recycling valuable metals from wastewater. With regulatory pressures increasing around heavy metal discharge limits, this carbon fiber-based electrodeposition process presents a highly promising solution for industrial wastewater treatment, combining environmental sustainability with economic feasibility.</p>","PeriodicalId":101138,"journal":{"name":"RSC Applied Interfaces","volume":" 4","pages":" 1031-1040"},"PeriodicalIF":0.0,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/lf/d4lf00409d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144573075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The role of Ni substitution in manganite perovskite Li–O2 battery† 镍取代在锰钙钛矿Li-O2电池中的作用
RSC Applied Interfaces Pub Date : 2025-04-23 DOI: 10.1039/D5LF00050E
Sandra Sajeev, Mewin Vincent, Piotr Garbacz, Marcin Strawski, Chunyu Zhu, Yoshitaka Aoki and Damian Kowalski
{"title":"The role of Ni substitution in manganite perovskite Li–O2 battery†","authors":"Sandra Sajeev, Mewin Vincent, Piotr Garbacz, Marcin Strawski, Chunyu Zhu, Yoshitaka Aoki and Damian Kowalski","doi":"10.1039/D5LF00050E","DOIUrl":"https://doi.org/10.1039/D5LF00050E","url":null,"abstract":"<p >A fundamental understanding of the electrochemical processes in Li–O<small><sub>2</sub></small> batteries is critical for the further development and commercialization of Li–O<small><sub>2</sub></small> and air-breathing battery technology. This study explores the electrochemistry of nickel-substituted manganite perovskites, La<small><sub>0.7</sub></small>Sr<small><sub>0.3</sub></small>Mn<small><sub>1−<em>x</em></sub></small>Ni<small><sub><em>x</em></sub></small>O<small><sub>3</sub></small> (<em>x</em> = 0, 0.1, 0.3, 0.5), which were subsequently used as catalysts in Li–O<small><sub>2</sub></small> battery operating in 1 mol dm<small><sup>−3</sup></small> bis trifluoromethane sulfonimide lithium salt (LiTFSi) in tetra ethylene glycol dimethyl ether (TEGDME) electrolyte. <em>In situ</em> Raman spectroscopy fingerprints on the discharge products correlated with charge–discharge profiles revealed that the electrochemical reaction pathway involves the formation of superoxide (LiO<small><sub>2</sub></small>) followed by reduction to lithium peroxide (Li<small><sub>2</sub></small>O<small><sub>2</sub></small>) during the battery discharge and corresponding two-step oxidation process in the charge phase. The superoxide (LiO<small><sub>2</sub></small>) was exceptionally stable for more than 2 h, which is in contrast to previous studies and expectations for short-lifetime intermediate formations. Electrochemical analysis revealed a significant improvement in the Li–O<small><sub>2</sub></small> battery performance for oxygen electrodes substituted with 10% of nickel, reaching a specific capacity of 3554 mAh g<small><sup>−1</sup></small>. Substitution of Mn with Ni in La<small><sub>0.7</sub></small>Sr<small><sub>0.3</sub></small>Mn<small><sub>0.9</sub></small>Ni<small><sub>0.1</sub></small>O<small><sub>3</sub></small> led to enhanced charge transfer kinetics due to a high surface population of the low valence state of B-site ions (Mn<small><sup>3+</sup></small>/Mn<small><sup>4+</sup></small> ratio) accommodating the presence of e<small><sub>g</sub></small><small><sup>1</sup></small> electrons in line with Jahn–Teller disordered metal–oxygen octahedra effect. The current finding offers new insights for designing of aprotic LiO<small><sub>2</sub></small> batteries.</p>","PeriodicalId":101138,"journal":{"name":"RSC Applied Interfaces","volume":" 4","pages":" 1051-1058"},"PeriodicalIF":0.0,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/lf/d5lf00050e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144573077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electronic coupling and photoluminescence anisotropy in van-der-Waals-stacks of tungsten disulphide with molecular single crystals† 分子单晶二硫化钨范德华堆的电子耦合和光致发光各向异性
RSC Applied Interfaces Pub Date : 2025-04-15 DOI: 10.1039/D4LF00351A
Mohammed Adel Aly, Dominik Muth, Bettina Wagner, Martin Koch, Johanna Heine and Marina Gerhard
{"title":"Electronic coupling and photoluminescence anisotropy in van-der-Waals-stacks of tungsten disulphide with molecular single crystals†","authors":"Mohammed Adel Aly, Dominik Muth, Bettina Wagner, Martin Koch, Johanna Heine and Marina Gerhard","doi":"10.1039/D4LF00351A","DOIUrl":"https://doi.org/10.1039/D4LF00351A","url":null,"abstract":"<p >Heterostructures comprised of organic semiconductors and transition metal dichalcogenides are promising candidates for device applications. In order to promote efficient charge or exciton transfer, the arrangement of the molecules at the heterointerface is crucial. However, to complement theoretical efforts, there is presently a lack of model systems to comprehensively study electronic coupling phenomena. Here, we explore heterostructures of tungsten disulphide with monocrystalline thin flakes of the organic compound pyrenemethylammonium chloride. The ionic character of the organic compound enables controlled fabrication of heterostructures <em>via</em> exfoliation of single crystals, thereby minimizing structural disorder in the molecular compound. In order to explore the optical properties and the photoexcitation dynamics related to the heterointerface, we employ time and polarization resolved photoluminescence spectroscopy. Evidence for electronic coupling is provided by three experimental findings: first, a faster decay of the luminescence of the organic compound in the region of the heterostructure indicates exciton or charge transfer, which is also surprisingly efficient for the structurally relaxed localized excimer state. Second, we find that the organic compound introduces a polarization anisotropy into the emission of tungsten disulphide, potentially due to the lowering of symmetries in the band structure. Third, we identify a weakly emissive feature at an energy around 1.7 eV, which could be related to an interfacial state. Overall, ionic molecular systems could serve as a versatile platform for combined experimental and theoretical studies of the interactions at the heterointerface.</p>","PeriodicalId":101138,"journal":{"name":"RSC Applied Interfaces","volume":" 4","pages":" 1020-1030"},"PeriodicalIF":0.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/lf/d4lf00351a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144573074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Physical properties of Fe-doped CdS quantum dots: single dot rectifying diode application 掺铁CdS量子点的物理性质:单点整流二极管的应用
RSC Applied Interfaces Pub Date : 2025-04-14 DOI: 10.1039/D4LF00337C
Piyali Maity, Ravi Kumar, S. N. Jha, D. Bhattacharyya, Sandip Chatterjee, Bhola Nath Pal and Anup Kumar Ghosh
{"title":"Physical properties of Fe-doped CdS quantum dots: single dot rectifying diode application","authors":"Piyali Maity, Ravi Kumar, S. N. Jha, D. Bhattacharyya, Sandip Chatterjee, Bhola Nath Pal and Anup Kumar Ghosh","doi":"10.1039/D4LF00337C","DOIUrl":"https://doi.org/10.1039/D4LF00337C","url":null,"abstract":"<p >The domain of single-molecule based electronic devices has grown remarkably over the past decade by utilizing nanotechnology to improve the efficiency of device fabrication. However, most of the single-molecule devices are based on organic materials. Compared with organic molecules, quantum dots (QDs) are excellent owing to their crystalline nature, environmental stability, narrow emission band and quantum yield with tunable electronic and optoelectronic properties. Here, CdS:Fe QDs were synthesized and analyzed to assess their structural, optical, and electronic properties, and subsequently, they were implemented in fabricating single-dot rectifying diodes. EXAFS revealed the average coordination number of the doped Fe element. The ITO/TiO<small><sub>2</sub></small>/CdS:Fe quantum dot heterostructure rectifying diodes were grown by spin coating and were characterized using scanning tunneling microscopy (STM) at room temperature. STM images revealed the distribution of QDs over the substrate, and the spectra revealed the improved rectification behavior with tunneling up to ∼1000×, revealing their excellent diode functionality. Threshold voltage tuning from 1.62 eV to 0.83 eV indicated the application of these diodes for tunable electronics with low power consumption. Thus, these results indicate the promising use of CdS:Fe QDs for optimized ambient atmosphere rectifying diode applications, opening the way for innovative electronic devices with improved performance and functionality.</p>","PeriodicalId":101138,"journal":{"name":"RSC Applied Interfaces","volume":" 4","pages":" 952-964"},"PeriodicalIF":0.0,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/lf/d4lf00337c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144573131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comment on the “Reaction intermediates recognized by in situ FTIR spectroscopy in CO2 hydrogenation over the Cu/ZnO/SPP-zeolite catalyst” by X. Liu et al., RSC Appl. Interfaces, 2025, 2, 114
RSC Applied Interfaces Pub Date : 2025-04-11 DOI: 10.1039/D5LF00014A
Frederic C. Meunier
{"title":"Comment on the “Reaction intermediates recognized by in situ FTIR spectroscopy in CO2 hydrogenation over the Cu/ZnO/SPP-zeolite catalyst” by X. Liu et al., RSC Appl. Interfaces, 2025, 2, 114","authors":"Frederic C. Meunier","doi":"10.1039/D5LF00014A","DOIUrl":"https://doi.org/10.1039/D5LF00014A","url":null,"abstract":"<p >Gaseous CO<small><sub>2</sub></small> exhibits hundreds of bands in the mid-IR region due to transitions between excited states and isotopologues. The intensity of these bands are orders of magnitude lower than that of the main features and are often misinterpreted as bands of adsorbates.</p>","PeriodicalId":101138,"journal":{"name":"RSC Applied Interfaces","volume":" 3","pages":" 837-838"},"PeriodicalIF":0.0,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/lf/d5lf00014a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944091","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Reply to the ‘Comment on the “Reaction intermediates recognized by in situ FTIR spectroscopy in CO2 hydrogenation over the Cu/ZnO/SPP-zeolite catalyst”’ by Comment author F. C. Meunier, RSC Appl. Interfaces, 2025, 2, https://doi.org/10.1039/D5LF00014A
RSC Applied Interfaces Pub Date : 2025-04-11 DOI: 10.1039/D5LF00065C
Xiaobo Yang, Xiaolong Liu, Guangying Fu, Qiaolin Lang, Ruiqin Ding, Qiangsheng Guo, Ke Liang, Shuman Gao and Bing Yu
{"title":"Reply to the ‘Comment on the “Reaction intermediates recognized by in situ FTIR spectroscopy in CO2 hydrogenation over the Cu/ZnO/SPP-zeolite catalyst”’ by Comment author F. C. Meunier, RSC Appl. Interfaces, 2025, 2, https://doi.org/10.1039/D5LF00014A","authors":"Xiaobo Yang, Xiaolong Liu, Guangying Fu, Qiaolin Lang, Ruiqin Ding, Qiangsheng Guo, Ke Liang, Shuman Gao and Bing Yu","doi":"10.1039/D5LF00065C","DOIUrl":"https://doi.org/10.1039/D5LF00065C","url":null,"abstract":"<p >We agree with Professor Meunier's comment that the two IR peaks at 2075 and 2060 cm<small><sup>−1</sup></small> belong to CO<small><sub>2</sub></small> in the cell in the gas phase, and not to Cu–C<img>O. We sincerely appreciate his insightful correction. The correction and conclusion related to the original paper are discussed.</p>","PeriodicalId":101138,"journal":{"name":"RSC Applied Interfaces","volume":" 3","pages":" 839-839"},"PeriodicalIF":0.0,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/lf/d5lf00065c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Computational insights into hydrogen interaction with the Ru (101) and Ru (100) surfaces: implications for alkane and polyolefin hydrogenolysis† 氢与Ru(101)和Ru(100)表面相互作用的计算见解:对烷烃和聚烯烃氢解的影响
RSC Applied Interfaces Pub Date : 2025-04-09 DOI: 10.1039/D5LF00002E
Fabio Colasuonno, Sohaib Umer and Martina Lessio
{"title":"Computational insights into hydrogen interaction with the Ru (101) and Ru (100) surfaces: implications for alkane and polyolefin hydrogenolysis†","authors":"Fabio Colasuonno, Sohaib Umer and Martina Lessio","doi":"10.1039/D5LF00002E","DOIUrl":"https://doi.org/10.1039/D5LF00002E","url":null,"abstract":"<p >Hydrogen interaction with transition metal surfaces such as those exposed by ruthenium (Ru) nanoparticles is critical in applications like hydrogen storage and catalytic processes such as Fischer–Tropsch, Haber–Bosch, and plastic waste hydrogenolysis. While the Ru(0001) surface is well-studied, hydrogen interaction with the Ru (10<img>1) and Ru (10<img>0) facets remains mostly underexplored. In this contribution, we use density functional theory calculations to investigate hydrogen adsorption and dissociation and provide insights into the adsorbed hydrogen role in catalytic polyolefin plastic hydrogenolysis. We start our investigation by exploring all the unique surface and subsurface sites for hydrogen adsorption and dissociation and identify hcp and higher hollow as the most favorable atomic hydrogens adsorption sites on the Ru (10<img>1) and Ru (10<img>0) surfaces, respectively. We find that atomic hydrogen can easily migrate on these surfaces to achieve the most stable arrangement at different coverages. We then combine these findings with <em>ab initio</em> thermodynamics and microkinetic modeling to build surface phase diagrams, which show that both surfaces are fully hydrogenated under typical catalytic conditions. We then study how the presence of a full hydrogen coverage affects the adsorption and dehydrogenation of butane as a proxy for polyethylene, as these are the initial steps in the catalytic hydrogenolysis of polyolefin plastic waste. We find that the adsorption energy of butane decreases when the two surfaces are fully hydrogenated but adsorption remains favorable. We then investigate two possible mechanisms for the dehydrogenation step. The most favorable dehydrogenation mechanism involves the reaction of a surface hydrogen with an alkane hydrogen to produce H<small><sub>2</sub></small> gas and an adsorbed alkyl radical. However, both mechanisms have positive reaction free energies suggesting that polyolefin dehydrogenation will be slow on these surfaces.</p>","PeriodicalId":101138,"journal":{"name":"RSC Applied Interfaces","volume":" 4","pages":" 940-951"},"PeriodicalIF":0.0,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/lf/d5lf00002e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144573130","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A comprehensive activity–stability correlation study of tantalum-doped tin oxide as a support for iridium oxide in low loading water electrolysis cell anodes† 掺钽氧化锡在低负荷水电解电池阳极中作为氧化铱载体的活性-稳定性相关性研究。
RSC Applied Interfaces Pub Date : 2025-04-07 DOI: 10.1039/D5LF00008D
Ignacio Jiménez-Morales, Jacques Rozière, Deborah Jones and Sara Cavaliere
{"title":"A comprehensive activity–stability correlation study of tantalum-doped tin oxide as a support for iridium oxide in low loading water electrolysis cell anodes†","authors":"Ignacio Jiménez-Morales, Jacques Rozière, Deborah Jones and Sara Cavaliere","doi":"10.1039/D5LF00008D","DOIUrl":"10.1039/D5LF00008D","url":null,"abstract":"<p >A systematic study on the impact of the treatment temperature of IrO<small><sub><em>x</em></sub></small> supported onto doped-tin oxide (1 at% Ta–SnO<small><sub>2</sub></small> and 10 at% Sb–SnO<small><sub>2</sub></small>) fibres led to electrocatalysts with high oxygen evolution reaction activity and resistance to degradation. The electrolytic performance was comparable to that of unsupported commercial IrO<small><sub>2</sub></small> with seven times higher loading.</p>","PeriodicalId":101138,"journal":{"name":"RSC Applied Interfaces","volume":" 4","pages":" 965-975"},"PeriodicalIF":0.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12047618/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144049306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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