Applied Surface Science Advances最新文献

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Pd@dppe@Fe3O4 as a magnetically recyclable catalyst for C–C bond formation: efficient phenylation of aldimines under mild conditions Pd@dppe@Fe3O4作为C-C键形成的磁性可回收催化剂:温和条件下醛胺的高效苯基化
IF 7.5
Applied Surface Science Advances Pub Date : 2025-07-14 DOI: 10.1016/j.apsadv.2025.100796
Akram Ashouri, Somayeh Pourian, Behzad Nasiri, Arezu Moradi
{"title":"Pd@dppe@Fe3O4 as a magnetically recyclable catalyst for C–C bond formation: efficient phenylation of aldimines under mild conditions","authors":"Akram Ashouri,&nbsp;Somayeh Pourian,&nbsp;Behzad Nasiri,&nbsp;Arezu Moradi","doi":"10.1016/j.apsadv.2025.100796","DOIUrl":"10.1016/j.apsadv.2025.100796","url":null,"abstract":"<div><div>Novel separable nanomagnetic organometallic catalysts were synthesized by different processes through the immobilization of palladium salt on Fe<sub>3</sub>O<sub>4</sub> MNPs bearing a phosphine ligand. These nanomagnetic particles were characterized by energy-dispersive X-ray spectroscopy (EDX), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), differential thermal analysis (DTA), X-ray diffraction (XRD), and vibrating-sample magnetometer (VSM) analysis. The resulting Pd@dppe@Fe<sub>3</sub>O<sub>4</sub> nanocatalysts efficiently promoted the 1,2-addition of phenylboronic acid to aldimines, delivering the corresponding secondary amines in yields of up to 98 % after 10 h. This catalyst could be readily recovered by magnetic separation and reused without significant loss of activity.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100796"},"PeriodicalIF":7.5,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144631931","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
Surface modification of AISI 316 L stainless steel with polyvinyl alcohol/chitosan/sol-gel bioactive glass coating by electrospinning method 聚乙烯醇/壳聚糖/溶胶-凝胶生物活性玻璃涂层静电纺丝法对AISI 316l不锈钢进行表面改性
IF 7.5
Applied Surface Science Advances Pub Date : 2025-07-14 DOI: 10.1016/j.apsadv.2025.100801
Masoud Rezaei , Sayed Mahmood Rabiee , Rohollah Jamaati , Shahrzad Rahmani
{"title":"Surface modification of AISI 316 L stainless steel with polyvinyl alcohol/chitosan/sol-gel bioactive glass coating by electrospinning method","authors":"Masoud Rezaei ,&nbsp;Sayed Mahmood Rabiee ,&nbsp;Rohollah Jamaati ,&nbsp;Shahrzad Rahmani","doi":"10.1016/j.apsadv.2025.100801","DOIUrl":"10.1016/j.apsadv.2025.100801","url":null,"abstract":"<div><div>AISI 316 L stainless steel has several applications in biomedical implants owing to its good corrosion resistance and mechanical properties. However, 316 L stainless steel alone may not provide sufficient biocompatibility. Hence, surface modifications such as biocompatible coatings are considered to improve the biocompatibility of implants. In this research, electrospinning composite solutions were prepared by blending a polymer solution of PVA/Chitosan (60:40 wt. %, respectively) non-calcined sol-gel-derived bioactive glass (BG-gel) at different volume percentages (Polymer solution/ BG sol: 100:0, 90:10, 85:15, 80:20) and named B0, B10, B15, and B20, respectively, and then coated on a polished AISI 316 L stainless steel substrate. The electrospinning of the samples was continued for 1 h with the following parameters: voltage = 25 kV, distance = 15 cm, and flow rate = 0.1 ml/h. The average diameter and distribution of nanofibers, chemical analysis, and wettability of the sample surface were characterized by FESEM, FTIR, and contact angle tests. In addition, bioactivity tests for all samples and viability tests of MG-63 osteoblast-like cells were performed for the B0 and B15 samples; also, cell attachment in these two samples was observed by FESEM images after 1 day of cultivation. Results indicate thinner and smoother fibers with an average fiber diameter of 157 nm for B0 and thicker fibers with at least a 120 nm increase in average fiber diameter in other samples in the presence of BG-sol. The contact angle evaluation of the samples shows contact angles of 21.0°, 21.4°, 17.0°, and 41.7° for B0, B10, B15, and B20, respectively. In addition, the bioactivity test revealed more hydroxyapatite nucleation upon the addition of more BG-sol to the composite solution. The cell viability results of the B0 and B15 samples show the same range of at least 93 % viability, which proves the low cytotoxicity and good biocompatibility of both samples. FESEM images of MG-63 cell attachment for B0 and B15 show good biocompatibility for both samples; especially for B15, which shows good spread and adhesion of multipolar stellate-shaped cells.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100801"},"PeriodicalIF":7.5,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614686","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
Vibration-driven SEI thinning and inorganic domination: Enhanced lithium-ion battery performance 振动驱动SEI减薄和无机主导:增强锂离子电池性能
IF 7.5
Applied Surface Science Advances Pub Date : 2025-07-11 DOI: 10.1016/j.apsadv.2025.100800
Jaewon Ryu , Taeksoo Jung , Jinwook Jung , Sunghyun Jie , Bora Lee , Junho Suh , Byeongyong Lee
{"title":"Vibration-driven SEI thinning and inorganic domination: Enhanced lithium-ion battery performance","authors":"Jaewon Ryu ,&nbsp;Taeksoo Jung ,&nbsp;Jinwook Jung ,&nbsp;Sunghyun Jie ,&nbsp;Bora Lee ,&nbsp;Junho Suh ,&nbsp;Byeongyong Lee","doi":"10.1016/j.apsadv.2025.100800","DOIUrl":"10.1016/j.apsadv.2025.100800","url":null,"abstract":"<div><div>The electrification of the transportation sector has led to the widespread deployment of lithium-ion batteries (LIBs) in vehicles. Given that vehicles operate under dynamic conditions where mechanical stimuli are prevalent, LIBs in this system can be significantly influenced by these mechanical effects. However, the influence of mechanical factors on batteries remains insufficiently explored. Among these, vibration—an intrinsic characteristic of vehicular operation—has received limited attention. In this study, we demonstrate that mechanical vibration can significantly enhance the electrochemical performance of standard LIBs by rendering a more favorable solid electrolyte interphase (SEI) for Li⁺ transport. Electroanalytical measurements and finite element analysis reveal that vibration-induced shear forces selectively remove fragile organic components from the SEI, yielding a thinner and more inorganic-rich interphase that facilitates efficient Li⁺ migration. As a result, Graphite‖NMC111 cells exhibited a 40.5 % increase in capacity at 1.5C under vibrating conditions. By uncovering the beneficial role of vibration, this work reframes it from a peripheral disturbance to a central design lever for improving LIB performance, especially in motion-intensive environments.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100800"},"PeriodicalIF":7.5,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144595904","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
Advanced tarnish-resistant silver alloys using Cu, Al, Zn, and Be: composition optimization and surface passivation 采用Cu, Al, Zn和Be的高级抗失光泽银合金:成分优化和表面钝化
IF 7.5
Applied Surface Science Advances Pub Date : 2025-07-03 DOI: 10.1016/j.apsadv.2025.100799
Harsha Kozhakkattil , Mukaddar Sk , Ranjit Thapa , G.S. VinodKumar
{"title":"Advanced tarnish-resistant silver alloys using Cu, Al, Zn, and Be: composition optimization and surface passivation","authors":"Harsha Kozhakkattil ,&nbsp;Mukaddar Sk ,&nbsp;Ranjit Thapa ,&nbsp;G.S. VinodKumar","doi":"10.1016/j.apsadv.2025.100799","DOIUrl":"10.1016/j.apsadv.2025.100799","url":null,"abstract":"<div><div>A novel class of tarnish-resistant silver alloys containing Cu, Al, Zn, and Be was developed. While Cu is a conventional alloying element in sterling silver (Ag-7.5 wt. %Cu), the addition of Al, Zn, and Be was aimed at forming stable surface oxides to inhibit Ag₂S formation that tarnishes silver alloy surface. The silver alloys produced were subjected to Passivation Heat Treatment (PHT) under oxygen atmosphere, promoting the formation of protective oxide layers. The XRD, SEM/EDX, and XPS characterization confirmed the formation of oxides contributing to tarnish resistance. Accelerated tarnish tests and UV–Visible reflectance spectroscopy demonstrated that Ag-3.5Cu-2Zn-1.9Al-0.1Be alloy exhibited strong resistance to tarnishing, having maximum reflectance values in the range of 60–70 %. The trace addition of Be was pivotal in controlling oxidation by creating a barrier for the diffusion of oxygen during PHT, preventing CuO related fire stains and ensuring tarnish resistance. The adsorption energy ratios of sulphur and oxygen of the silver alloys were studied computationally. The lower value of the ratio is implicative of a preference for oxidation over sulphidation. The value obtained is 0.373 for Ag-3.5Cu-2Zn-1.9Al-0.1Be, which is the least, and it is due to the presence of appropriate amounts of Zn, Al, and Be in the composition.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100799"},"PeriodicalIF":7.5,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549478","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
Integration of biomass valorization and bicarbonate electrolysis for low-voltage production of value-added chemicals 生物质增值和碳酸氢盐电解低压生产增值化学品的集成
IF 7.5
Applied Surface Science Advances Pub Date : 2025-07-03 DOI: 10.1016/j.apsadv.2025.100798
Dohee Kim , Hyeonuk Choi , Hojeong Lee , Eunui An , Yoonyoung Kim , Youngkook Kwon , Jihun Oh
{"title":"Integration of biomass valorization and bicarbonate electrolysis for low-voltage production of value-added chemicals","authors":"Dohee Kim ,&nbsp;Hyeonuk Choi ,&nbsp;Hojeong Lee ,&nbsp;Eunui An ,&nbsp;Yoonyoung Kim ,&nbsp;Youngkook Kwon ,&nbsp;Jihun Oh","doi":"10.1016/j.apsadv.2025.100798","DOIUrl":"10.1016/j.apsadv.2025.100798","url":null,"abstract":"<div><div>Bicarbonate electrolysis (BCE) utilizing captured CO<sub>2</sub> holds promise for the production of carbon-based chemicals and fuels but exhibits a low energy efficiency due to the high theoretical voltage required to drive the anodic oxygen evolution reaction (OER). Herein, BCE is coupled with the glycerol electrochemical oxidation reaction (GEOR) instead of the OER to decrease the operation voltage and obtain glycolic acid (GCA) and other valuable products. The mechanism of the GEOR, which is catalyzed by a gold nanoparticles embedded nickel oxides combined with multi-walled carbon nanotube (Au-NiO-CNT), is probed by examining the effects of electrolyte alkalinity, with further insights provided by in situ Raman and electrochemical impedance spectroscopic analyses. The incorporated carbon nanotubes increase the catalyst's conductivity, promoting the formation of α-Ni(OH)<sub>2</sub> on the NiO support during the GEOR and thus facilitating the establishment of Ni–OH moieties and their reaction with the primary hydroxyl groups of glycerol to increase GCA selectivity at low applied potentials. Compared with OER-coupled BCE, our process features an ∼890 mV lower operation voltage at 150 mA cm<sup>–2</sup>, high CO (86.7 % in 3 M KHCO<sub>3</sub>) and GCA (25.5 % in 0.1 M glycerol and 3 M KOH) selectivities, and a 16 % lower energy consumption at 150 mA cm<sup>–2</sup> (76.76 vs. 91.38 MWh per ton CO).</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100798"},"PeriodicalIF":7.5,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549477","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
Antimicrobial activity enhancement of MgO nanoparticles through Zn doping against multidrug-resistant bacteria 锌掺杂增强氧化镁纳米颗粒对多药耐药菌的抑菌活性
IF 7.5
Applied Surface Science Advances Pub Date : 2025-06-30 DOI: 10.1016/j.apsadv.2025.100797
Benjamín Hernández-Figueroa , Guillermo Herrera-Pérez , Jesus S. Uribe-Chavira , Antonia Luna-Velasco , Alva Castillo-González , Blanca Sánchez-Ramírez , Claudia A. Ramírez-Valdespino , María R. Peralta-Pérez , Dayana E. Salas-Leiva , Edward A. Espinoza-Sánchez , Joan S. Salas-Leiva
{"title":"Antimicrobial activity enhancement of MgO nanoparticles through Zn doping against multidrug-resistant bacteria","authors":"Benjamín Hernández-Figueroa ,&nbsp;Guillermo Herrera-Pérez ,&nbsp;Jesus S. Uribe-Chavira ,&nbsp;Antonia Luna-Velasco ,&nbsp;Alva Castillo-González ,&nbsp;Blanca Sánchez-Ramírez ,&nbsp;Claudia A. Ramírez-Valdespino ,&nbsp;María R. Peralta-Pérez ,&nbsp;Dayana E. Salas-Leiva ,&nbsp;Edward A. Espinoza-Sánchez ,&nbsp;Joan S. Salas-Leiva","doi":"10.1016/j.apsadv.2025.100797","DOIUrl":"10.1016/j.apsadv.2025.100797","url":null,"abstract":"<div><div>The structural, morphological, and antibacterial effects resulted from incorporating zinc into magnesium oxide (MgO) host lattice. Two samples were synthesized via the precipitation method with 10 and 16% zinc concentrations, and their properties were compared with those of a commercial (MgOc) sample. Structural analyses confirmed a cubic structure with space group Fm-3 m, which underwent distortions as Zn concentration increased. Microstructural studies via X-ray diffraction and transmission electron microscopy revealed nanoparticle (NPs) formation with a polyhedral morphology resulting from surface hydroxylation of cubic-shaped particles. Zinc incorporation and the presence of defects centers such as oxygen vacancies creates electronic states inside the bandgap reducing the bandgap energy value from 5.7 eV to 4.7 eV. Furthermore, an increase in Urbach energy was observed, suggesting greater energetic disorder due to the introduction of localized electronic levels within the bandgap. Zinc incorporation also increasing the average particle size. Antibacterial activity was evaluated based on IC<sub>50</sub>. For <em>Staphylococcus aureus</em> ATCC, IC<sub>50</sub> values were 0.8 mg/mL and 0.49 mg/mL for commercial MgO NPs (MgOc) and MgO-Zn 10, respectively. In the case of <em>S. aureus</em>, multidrug-resistant (MDR) needed 2.81 mg/mL MgOc NPs, whereas IC<sub>50</sub> was reduced to 0.69 mg/mL for MgO-Zn 10. For <em>Pseudomonas aeruginosa</em> ATCC, IC<sub>50</sub> of MgOc NPs was 0.77 mg/mL, whereas a decrease of 0.34 mg/mL was observed for MgO-Zn 10. Concerning <em>P. aeruginosa</em> MDR, IC<sub>50</sub> of MgOc NPs was 0.710 mg/mL, whereas a value lower than 0.5 mg/mL was recorded for MgO-Zn 10. These results suggest that using MgO‒Zn nanoparticles represents a promising strategy for combating multidrug-resistant bacteria.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100797"},"PeriodicalIF":7.5,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144513903","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
Copper hydroxide nanosheets: Synthesis, structural analysis, and electrochemical performance evaluation 氢氧化铜纳米片:合成、结构分析和电化学性能评价
IF 7.5
Applied Surface Science Advances Pub Date : 2025-06-27 DOI: 10.1016/j.apsadv.2025.100795
Hye Seong Jang , Min Kyeong Kim , Dohun Lee , Youngji Kim , Yeongeun Jang , Seunghwa Lee , John Hong , Gyeong Hee Ryu
{"title":"Copper hydroxide nanosheets: Synthesis, structural analysis, and electrochemical performance evaluation","authors":"Hye Seong Jang ,&nbsp;Min Kyeong Kim ,&nbsp;Dohun Lee ,&nbsp;Youngji Kim ,&nbsp;Yeongeun Jang ,&nbsp;Seunghwa Lee ,&nbsp;John Hong ,&nbsp;Gyeong Hee Ryu","doi":"10.1016/j.apsadv.2025.100795","DOIUrl":"10.1016/j.apsadv.2025.100795","url":null,"abstract":"<div><div>Two-dimensional (2D) oxides have garnered extensive attention owing to their remarkable properties, including high surface-to-volume ratios and unique chemical and physical properties. Among the various methods reported for the synthesis of 2D structures, surfactant-based approaches are particularly advantageous because they enable the formation of 2D nanostructures at the water–air interface. Nanostructured copper oxides are widely used as electrode materials for energy storage and conversion in batteries and supercapacitors. We synthesised 2D Cu(OH)<sub>2</sub> nanosheets using an innovative surfactant-assisted method and analysed their structural and electrochemical properties. The Cu(OH)<sub>2</sub> nanosheets exhibited good supercapacitor performance because of the increased active area of the 2D structures. However, the electrochemical performance of the Cu(OH)<sub>2</sub> nanosheets was adversely affected by annealing owing to the changes in the crystal structure of copper hydroxide. Our findings contribute significantly to the field of 2D nanoscale materials, and the proposed synthesis method facilitates the development of various nanoscale materials with tuneable properties.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100795"},"PeriodicalIF":7.5,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501874","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
Theoretical study of the adsorption of methyl formate on the MgO (100) surface 甲酸甲酯在MgO(100)表面吸附的理论研究
IF 7.5
Applied Surface Science Advances Pub Date : 2025-06-19 DOI: 10.1016/j.apsadv.2025.100794
R.E. Ambrusi , J. Juan , J.M. Marchetti
{"title":"Theoretical study of the adsorption of methyl formate on the MgO (100) surface","authors":"R.E. Ambrusi ,&nbsp;J. Juan ,&nbsp;J.M. Marchetti","doi":"10.1016/j.apsadv.2025.100794","DOIUrl":"10.1016/j.apsadv.2025.100794","url":null,"abstract":"<div><div>A density functional theory study was performed to understand the interactions of the methyl formate molecule with the MgO (100) surface. In this context, the adsorption mechanisms of the molecule were investigated, with a focus on its stability on the substrate, the geometric structure of the system, and the interactions between the molecule and the surface. Two main stable configurations with approximately the same adsorption energy (about 0.47 eV) were found. The first configuration involves the oxygen of the carbonyl group on the Mg top site, while the second involves the remaining ester group oxygen on the same site. It is important to emphasize that each configuration interacts in different proportions in chemical and physical mechanisms, and with different bond participation. To comprehensively understand these phenomena, a systematic study was conducted, incorporating energy calculations, density of states, and charge and density difference analyses. Furthermore, chemical descriptors such as overlap population and bond order were employed to supplement the electronic results through a qualitative analysis of the main bonds.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100794"},"PeriodicalIF":7.5,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144313803","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
Role of pz band in hybrid carbon-bimetallic subnanocluster PtM (M = 3d, 4d, 5d block metals) catalysts to boost electrochemical oxygen reduction reaction pz带在杂化碳双金属亚纳米簇PtM (M = 3d, 4d, 5d嵌段金属)催化剂中促进电化学氧还原反应的作用
IF 7.5
Applied Surface Science Advances Pub Date : 2025-06-19 DOI: 10.1016/j.apsadv.2025.100792
Eoyoon Lee , Sangyong Shin , Hyunjoo Lee , Hyung Chul Ham
{"title":"Role of pz band in hybrid carbon-bimetallic subnanocluster PtM (M = 3d, 4d, 5d block metals) catalysts to boost electrochemical oxygen reduction reaction","authors":"Eoyoon Lee ,&nbsp;Sangyong Shin ,&nbsp;Hyunjoo Lee ,&nbsp;Hyung Chul Ham","doi":"10.1016/j.apsadv.2025.100792","DOIUrl":"10.1016/j.apsadv.2025.100792","url":null,"abstract":"<div><div>The utilization of carbon-encapsulated Pt or Pt-alloy subnanocluster catalysts for proton exchange membrane fuel cells is a promising strategy to further reduce Pt loadings, enhancing catalytic activity and stability. However, such subnanocluster catalysts with carbon encapsulation remain prospective nanomaterials since they have been rarely explored to date. Here, using spin-polarized density functional theory (DFT) calculation, the carbon-encapsulated Pt and Pt-alloy catalysts (Pt<em><sub>n</sub></em>@C and Pt<sub>3</sub>M<sub>3</sub>@C) featuring subnanoclusters are developed. Unlike the dissociative oxygen reduction occurring on a variety of metals, The Pt<sub>6</sub>@C offered facile four-electron oxygen reduction reaction (ORR) pathway via H<sub>2</sub>O<sub>2</sub> decomposition with low kinetic barrier (0.11 eV) at unique active site (carbon surface), and exhibited improved ORR activity with higher onset potential of 0.60 V over against Pt(111) catalyst (0.52 V). To reduce Pt loading and tune catalytic activity of Pt<sub>6</sub>@C, the binary Pt<sub>3</sub>M<sub>3</sub> alloy subnanoclusters (M = 3d, 4d and 5d block metals) were introduced. Using activity descriptor (*OOH adsorption energy), the screening of Pt<sub>3</sub>M<sub>3</sub>@C candidates was conducted. It suggested new Pt<sub>3</sub>Co<sub>3</sub> (0.62 V), Pt<sub>3</sub>Rh<sub>3</sub> (0.60 V), Pt<sub>3</sub>Ta<sub>3</sub> (0.65 V), Pt<sub>3</sub>Re<sub>3</sub> (0.61 V) alloy subnanoclusters possessing even or better ORR activity relative to Pt<sub>6</sub>@C. The achievement of high ORR performance was also unveiled through an effective charge transfer from the metal subananocluster to the carbon shell. This leads to the down-shift of p<sub>z</sub> band center of the carbon sites and in turn the formation of bonding orbital between *OOH and carbon at deeper energy level, which consequently strengthens *OOH adsorption and decreases the overpotential. Our study can provide valuable insight into developing the hybrid metal-carbon catalysts with highly reduced Pt loadings for the efficient ORR as well as other electrocatalysis applications.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100792"},"PeriodicalIF":7.5,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144321859","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
Soft magnetic composite obtained by interface reaction upon spark plasma sintering using double-coated Al-permalloy (Ni71.25Fe23.75Al5) composite particles 采用双包覆Al-permalloy (Ni71.25Fe23.75Al5)复合颗粒,火花等离子烧结界面反应制备软磁复合材料
IF 7.5
Applied Surface Science Advances Pub Date : 2025-06-18 DOI: 10.1016/j.apsadv.2025.100793
Traian Florin Marinca , Florin Popa , Amalia Zorica Mesaroș , Bogdan Viorel Neamțu , Virgiliu Călin Prică , Horea Florin Chicinaș , Ionel Chicinaș
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