Results in Surfaces and Interfaces最新文献_第2页

Purification of ytterbium using a cationic resin 用阳离子树脂提纯镱

Results in Surfaces and Interfaces Pub Date : 2025-05-01 DOI: 10.1016/j.rsurfi.2025.100550

Pedro A.S. Moura , Carlos A. Grande

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Advanced energy storage with lanthanum-based materials 基于镧基材料的先进储能技术

Results in Surfaces and Interfaces Pub Date : 2025-05-01 DOI: 10.1016/j.rsurfi.2025.100544

Vinitha Packirisamy , M.V. Arularasu , Periasamy Anbu , Rajabhuvaneswari Ariyamthu

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High entropy spinel oxide for natural sunlight-driven photocatalytic degradation of methylene blue: a sustainable water remediation process 高熵氧化尖晶石用于自然阳光驱动的光催化降解亚甲蓝：一种可持续的水修复工艺

Results in Surfaces and Interfaces Pub Date : 2025-05-01 DOI: 10.1016/j.rsurfi.2025.100549

Soumyadeep Sur , Nikhil Vekariya , Shikhar Krishn Jha , Jignesh Valand

{"title":"High entropy spinel oxide for natural sunlight-driven photocatalytic degradation of methylene blue: a sustainable water remediation process","authors":"Soumyadeep Sur , Nikhil Vekariya , Shikhar Krishn Jha , Jignesh Valand","doi":"10.1016/j.rsurfi.2025.100549","DOIUrl":"10.1016/j.rsurfi.2025.100549","url":null,"abstract":"<div><div>High entropy materials have garnered substantial attention in the field of materials science due to its tunable properties in various structural and functional applications. This work demonstrates for the first time a facile synthesis of high-entropy spinel oxide (HESO) for natural sunlight-driven photocatalytic dye degradation. The oxide catalyst with a nominal composition (CoCrFeMnNi)<sub>3</sub>O<sub>4</sub> was prepared by a modified sol-gel method followed by a heat treatment at 950 °C. The synthesized powder was characterized for its composition, morphology, and photocatalytic activity. The X-ray diffraction and the X-ray photoelectron spectroscopy analysis confirmed the formation of (CoCrFeMnNi)<sub>3</sub>O<sub>4</sub> with high compositional purity. Methylene Blue dye was chosen for gauging the photocatalytic activity of the prepared material subjected to sunlight irradiation. The catalyst showed a rapid decomposition rate with greater than 95 % degradation efficiency in 100 min. It was found that the prepared high entropy catalyst can degrade the dye under varying reaction conditions, and the spent catalyst can quickly be recovered using an external magnetic field. Also, the most probable reaction mechanism and kinetic model for photocatalysis have been investigated.</div></div>","PeriodicalId":21085,"journal":{"name":"Results in Surfaces and Interfaces","volume":"19 ","pages":"Article 100549"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144099035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Optimization of dimethylammonium addition and effects of guanidium co-addition to CH3NH3PbI3 perovskite solar cells CH3NH3PbI3钙钛矿太阳能电池二甲铵加成优化及胍共加成效果研究

Results in Surfaces and Interfaces Pub Date : 2025-05-01 DOI: 10.1016/j.rsurfi.2025.100528

Haruto Shimada , Takeo Oku , Atsushi Suzuki , Tomoharu Tachikawa , Tomoya Hasegawa , Sakiko Fukunishi

{"title":"Optimization of dimethylammonium addition and effects of guanidium co-addition to CH3NH3PbI3 perovskite solar cells","authors":"Haruto Shimada , Takeo Oku , Atsushi Suzuki , Tomoharu Tachikawa , Tomoya Hasegawa , Sakiko Fukunishi","doi":"10.1016/j.rsurfi.2025.100528","DOIUrl":"10.1016/j.rsurfi.2025.100528","url":null,"abstract":"<div><div>The effects of adding dimethylammonium (DMA) to CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> perovskite solar cells were investigated using device fabrication and first-principles calculations. For the methylammonium (MA) system, the appropriate amount of DMA to add at the MA site was found to be 30–35 %. The addition particularly contributed to the improvement of the fill factor, which enhanced the power conversion efficiencies. This was due to improved interfacial conditions, such as reduced grain boundaries resulting from increases in the crystallite size and (100) orientation. In addition, DMA and guanidinium (GA) were both added to CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> perovskite solar cells, which improved the photovoltaic properties and long-term stability. This could have been due to the stabilization of the crystal structures by the co-addition of DMA/GA, which have larger ionic radii than MA. First-principles calculations suggested an increase in carrier mobility by the DMA introduction and stabilization of the crystal lattices by the co-addition of DMA/GA, which supported the effectiveness of the DMA addition.</div></div>","PeriodicalId":21085,"journal":{"name":"Results in Surfaces and Interfaces","volume":"19 ","pages":"Article 100528"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143906166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhanced detection of HFCO and COF2 using Ni-doped and Ni-decorated SWCNTs: A DFT investigation 使用ni掺杂和ni修饰的SWCNTs增强HFCO和COF2的检测：DFT研究

Results in Surfaces and Interfaces Pub Date : 2025-05-01 DOI: 10.1016/j.rsurfi.2025.100546

Marjan Ghafari , Hossein Mohammadi-Manesh , Forough Kalantari Fotooh

{"title":"Enhanced detection of HFCO and COF2 using Ni-doped and Ni-decorated SWCNTs: A DFT investigation","authors":"Marjan Ghafari , Hossein Mohammadi-Manesh , Forough Kalantari Fotooh","doi":"10.1016/j.rsurfi.2025.100546","DOIUrl":"10.1016/j.rsurfi.2025.100546","url":null,"abstract":"<div><div>The adsorption of formyl fluoride (HFCO) and carbonyl fluoride (COF<sub>2</sub>) molecules on Ni-doped and Ni-decorated single-walled carbon nanotubes (SWCNTs) was investigated using plane-wave density functional theory (DFT). All structures were optimized both before and after gas adsorption, and key properties such as adsorption energies, magnetization, and electronic characteristics including band structures and partial density of states were calculated for the optimized configurations. The maximum negative adsorption energy was observed for the Ni-decorated SWCNT, ranging from −0.90 to −1.10 eV. The results indicate that adsorption strongly depends on the orientation of the gas molecules relative to the Ni-doped SWCNT. Notably, the electronic properties of the Ni-doped SWCNT revealed that it retains its metallic character across all adsorption configurations. Additionally, adsorption on the Ni-decorated SWCNT enhanced both its magnetization and electronic properties. These findings suggest that Ni-modified SWCNTs hold significant potential as candidates for detecting HFCO and COF<sub>2</sub> gases.</div></div>","PeriodicalId":21085,"journal":{"name":"Results in Surfaces and Interfaces","volume":"19 ","pages":"Article 100546"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Mechanism of the Water-Gas Shift (WGS) reaction on the MoO3(010) surface: A Car–Parrinello Molecular Dynamics study MoO3（010）表面水气转换反应机理：Car-Parrinello分子动力学研究

Results in Surfaces and Interfaces Pub Date : 2025-05-01 DOI: 10.1016/j.rsurfi.2025.100537

Diego Julian Rodriguez Patarroyo , Julian Andres Salamanca Bernal , Marco Antonio Ramirez Ramos

{"title":"Mechanism of the Water-Gas Shift (WGS) reaction on the MoO3(010) surface: A Car–Parrinello Molecular Dynamics study","authors":"Diego Julian Rodriguez Patarroyo , Julian Andres Salamanca Bernal , Marco Antonio Ramirez Ramos","doi":"10.1016/j.rsurfi.2025.100537","DOIUrl":"10.1016/j.rsurfi.2025.100537","url":null,"abstract":"<div><div>In this study, a comprehensive analysis of the water-gas shift reaction using <strong>MoO<sub>3</sub>(010)</strong> as a catalytic surface was performed using Car–Parrinello Molecular Dynamics (CPMD) based on Density Functional Theory (DFT). The results indicate that <strong>CO</strong> exhibits a strong adsorption energy, while non-dissociative adsorption of <strong>H<sub>2</sub>O</strong> was found to be infeasible. However, the dissociative adsorption of <strong>H<sub>2</sub>O</strong> showed a significant activation energy. In addition, the desorption energies of <strong>OH</strong> and <strong>H</strong> products were determined. Reaction pathways were further explored, highlighting the formation of <strong>COOH</strong> as an intermediate in the interaction between <strong>CO</strong> and <strong>OH</strong>, followed by the release of <strong>CO<sub>2</sub></strong> and subsequent adsorption of <strong>H</strong> on the surface. For the formation of <strong>H<sub>2</sub></strong>, a mechanism was identified in which hydrogen atoms located at adjacent active sites diffuse and combine, requiring a specific energy input. These results suggest that <strong>MoO<sub>3</sub>(010)</strong> is a promising candidate for improving the catalytic efficiency of supporting platinum nanoparticles in the water-gas shift reaction, with potential implications for catalytic applications.</div></div>","PeriodicalId":21085,"journal":{"name":"Results in Surfaces and Interfaces","volume":"19 ","pages":"Article 100537"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144123732","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Effect of rice husk derived activated carbon surface coating on NMC 811 characteristics and performance as lithium-ion battery cathode 稻壳源活性炭表面涂层对锂离子电池正极材料NMC 811特性及性能的影响

Results in Surfaces and Interfaces Pub Date : 2025-05-01 DOI: 10.1016/j.rsurfi.2025.100567

Fiona Angellinnov , Achmad Subhan , Wara Dyah Pita Rengga , Arif Jumari , Anne Zulfia Syahrial

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Efficient cyclization of 1,5-dienes to industrially important terpenes using amorphous metal aluminophosphate catalyst: A continuous flow approach 利用无定形金属磷酸铝催化剂高效地将1,5-二烯环化为工业上重要的萜烯：一种连续流动方法

Results in Surfaces and Interfaces Pub Date : 2025-05-01 DOI: 10.1016/j.rsurfi.2025.100539

Imam Kopparapu , C.J. Binish , A.V. Vijayasankar

{"title":"Efficient cyclization of 1,5-dienes to industrially important terpenes using amorphous metal aluminophosphate catalyst: A continuous flow approach","authors":"Imam Kopparapu , C.J. Binish , A.V. Vijayasankar","doi":"10.1016/j.rsurfi.2025.100539","DOIUrl":"10.1016/j.rsurfi.2025.100539","url":null,"abstract":"<div><div>Amorphous metal aluminophosphate was used for the first time in a continuous flow process for the cyclization of pseudoionones. A series of metal aluminophosphates was synthesized by a simple coprecipitation method and characterized using various techniques to determine the physico-chemical properties of the materials. The synthesized metal aluminophosphates were evaluated as catalysts in the cyclization of pseudoionone via a continuous flow process utilizing a coil flow reactor. All catalysts facilitated the formation of α- and β-isomers of ionones through the cyclization of pseudoionone. Calcium aluminophosphate demonstrated a higher catalytic efficiency of 96 % compared to other reported methods, which is attributed to its large surface area, surface acid sites, and reduced by-product inhibition. The reaction was optimized by varying parameters such as catalyst amount, reaction temperature, pressure, and retention time and compared with a batch process. The scope of the reaction was investigated by employing a variety of terpene ketones. A suitable reaction mechanism was proposed which highlights the role of the surface acidity of the catalyst in the formation of a cyclized ring. The catalyst exhibited excellent reusability, maintaining its efficiency over three consecutive cycles with minimal degradation.</div></div>","PeriodicalId":21085,"journal":{"name":"Results in Surfaces and Interfaces","volume":"19 ","pages":"Article 100539"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Laser polarization induced surface structuring of 316L stainless steel and influence on biocompatibility and antibacterial performance 激光极化诱导316L不锈钢表面结构及其对生物相容性和抗菌性能的影响

Results in Surfaces and Interfaces Pub Date : 2025-05-01 DOI: 10.1016/j.rsurfi.2025.100547

Gimmi Guruprasad Engoor , Sowmya Selvaraj , Nickita Acharya , Vignesh Muthuvijayan , Sivarama Krishnan , Sujatha Narayanan Unni , Nilesh Jayantilal Vasa

{"title":"Laser polarization induced surface structuring of 316L stainless steel and influence on biocompatibility and antibacterial performance","authors":"Gimmi Guruprasad Engoor , Sowmya Selvaraj , Nickita Acharya , Vignesh Muthuvijayan , Sivarama Krishnan , Sujatha Narayanan Unni , Nilesh Jayantilal Vasa","doi":"10.1016/j.rsurfi.2025.100547","DOIUrl":"10.1016/j.rsurfi.2025.100547","url":null,"abstract":"<div><div>The paper details the biocompatibility and antibacterial investigations on polarization-dependent laser-induced periodic surface structures (LIPSS) generated on 316L stainless steel using circularly-polarized and linearly-polarized femtosecond (fs) laser pulses. Both LIPSS structures were self-sterilizing to control bacterial adhesion and colonization. LIPSS from the linearly-polarized fs laser had an antibacterial rate of 92 ± 6 % and 97 ± 3 % against <em>Staphylococcus aureus</em> (<em>S. aureus),</em> and <em>Escherichia coli</em> (<em>E. coli),</em> respectively, compared to the polished stainless-steel sample kept as control. LIPSS from circularly-polarized fs laser had an antibacterial rate of 41 ± 8 % and 85 ± 6 % against <em>S. aureus</em> and <em>E. coli,</em> respectively, compared to the polished stainless-steel sample kept as control. Further, the nanoripples generated using linearly-polarized fs-laser favored mammalian cell adhesion, proliferation, and alignment along the nanoripples. Based on the study, the LIPSS from circularly-polarized laser beam possesses antibacterial properties, while the LIPSS from linearly-polarized laser beam possesses both antibacterial and osseointegration properties.</div></div>","PeriodicalId":21085,"journal":{"name":"Results in Surfaces and Interfaces","volume":"19 ","pages":"Article 100547"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Response surface methodology and artificial neural network modeling for biodiesel production over Elaeis guineensis shell ash-derived MgSiO3 catalyst 响应面法和人工神经网络建模在白蜡壳灰分MgSiO3催化剂上生产生物柴油

Results in Surfaces and Interfaces Pub Date : 2025-05-01 DOI: 10.1016/j.rsurfi.2025.100552

Lidya Novita , Safni , Emriadi , Flávio Augusto de Freitas , Rahmiana Zein

{"title":"Response surface methodology and artificial neural network modeling for biodiesel production over Elaeis guineensis shell ash-derived MgSiO3 catalyst","authors":"Lidya Novita , Safni , Emriadi , Flávio Augusto de Freitas , Rahmiana Zein","doi":"10.1016/j.rsurfi.2025.100552","DOIUrl":"10.1016/j.rsurfi.2025.100552","url":null,"abstract":"<div><div>The increasing demand for sustainable and renewable energy sources has highlighted the need for efficient biodiesel production methods. However, despite extensive studies on biomass-derived catalysts, most approaches rely on fixed experimental setups, lacking systematic optimization through experimental design methodologies. To bridge this critical gap, this study systematically compares response surface methodology (RSM) and artificial neural network (ANN) modeling approaches, utilizing used vegetable cooking oil (UVCO) and a novel MgSiO<sub>3</sub> catalyst derived from <em>Elaeis guineensis</em> shell ash (ESA). The catalyst was comprehensively characterized using XRD, FTIR, SEM-EDX, and BET surface area. Central composite design (CCD) within the RSM framework was employed to systematically assess the impact of catalyst dosage, methanol (MeOH) to UVCO molar ratio, temperature, and reaction time on biodiesel yield. Experimental results demonstrated that RSM outperformed ANN in modeling accuracy, correlation, and consistency, as indicated by lower MSE and MAE values and higher R<sup>2</sup>. Under optimized conditions—8 % catalyst dosage, 15:1 MeOH/UVCO molar ratio, 60 °C reaction temperature, and 150 min—a biodiesel yield of 90.43 % was achieved. The catalyst exhibited notable reusability, maintaining a yield of 71.55 % after five cycles. Notably, the presence of fatty acid methyl esters (FAME) in the biodiesel was confirmed by GC-MS and FTIR analyses, and comprehensive testing showed compliance with ASTM D6751 and EN 14214 standards. Overall, these findings demonstrate the potential of sustainable catalyst utilization and systematic process optimization to produce high-yield, standard-compliant biodiesel, offering promising applications for industrial-scale green energy solutions.</div></div>","PeriodicalId":21085,"journal":{"name":"Results in Surfaces and Interfaces","volume":"19 ","pages":"Article 100552"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0