The interface issues between solid-state electrolytes and electrodes severely hamper the development of solid-state lithium metal batteries. Li1.3Al0.3Ti1.7(PO4)3 (LATP) is a competitive candidate among solid-state electrolytes due to its high ionic conductivity, air stability and low-cost. Nevertheless, the poor contact at electrolyte/electrode surface as well as the incompatibility between LATP and lithium metal obstruct its practical application. Herein, a buffer layer is designed on both sides of LATP to improve the interfacial contact and inhibit the side reaction occurs at the surface of Li anode. The in-situ formed interphase is a network structure composed of methyl methacrylate (MMA) and tetraethylene glycol dimethacrylate (TEGDMA), which can be triggered by thermal polymerization. The optimized interface enables continuous migration of lithium ions, thereby facilitating the dynamics of cations across the electrolyte and electrode interface. By this modification, the Li||Li symmetric cells assembled by the final product demonstrate high plating/stripping reversibility, and the Li||LiFePO4 cells can deliver a discharge capacity of 161 mAh g−1 at 0.1C. This study proposes a promising strategy for interfacial design and heralds an encouraging prospect for inorganic solid-state electrolytes in reliable utilization.
{"title":"Interfacial optimization of Li1.3Al0.3Ti1.7(PO4)3 based solid-state electrolyte by in-situ thermal polymerization for high reliability lithium metal batteries","authors":"Ting-Ting Chen, Yu-Hang Zhang, Yi-Wei Fan, Xin Jiang, Peng-Fei Wang, Yuhan Wu, Fa-Nian Shi","doi":"10.1016/j.apsusc.2025.162723","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162723","url":null,"abstract":"The interface issues between solid-state electrolytes and electrodes severely hamper the development of solid-state lithium metal batteries. Li<sub>1.3</sub>Al<sub>0.3</sub>Ti<sub>1.7</sub>(PO<sub>4</sub>)<sub>3</sub> (LATP) is a competitive candidate among solid-state electrolytes due to its high ionic conductivity, air stability and low-cost. Nevertheless, the poor contact at electrolyte/electrode surface as well as the incompatibility between LATP and lithium metal obstruct its practical application. Herein, a buffer layer is designed on both sides of LATP to improve the interfacial contact and inhibit the side reaction occurs at the surface of Li anode. The <em>in-situ</em> formed interphase is a network structure composed of methyl methacrylate (MMA) and tetraethylene glycol dimethacrylate (TEGDMA), which can be triggered by thermal polymerization. The optimized interface enables continuous migration of lithium ions, thereby facilitating the dynamics of cations across the electrolyte and electrode interface. By this modification, the Li||Li symmetric cells assembled by the final product demonstrate high plating/stripping reversibility, and the Li||LiFePO<sub>4</sub> cells can deliver a discharge capacity of 161 mAh g<sup>−1</sup> at 0.1C. This study proposes a promising strategy for interfacial design and heralds an encouraging prospect for inorganic solid-state electrolytes in reliable utilization.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"81 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-18DOI: 10.1016/j.apsusc.2025.162729
Yan Wang, Xiaoyue Fu, Yuxiu He, Xiyuan Li, Yingjie Feng
Anion exchange membrane water electrolysis (AEMWE) is a promising hydrogen production technology for clean energy storage and conversion applications. However, in practical applications, AEMWE still face various challenges, such as slow reaction kinetics and a poor durability. This study simultaneously performed chronopotentiometry for 672 h in a half-cell (200 mA cm−2) and 170 h in a single-cell (500 mA cm−2) to comprehensively evaluate the durability of a NiFe-LDH/NF electrode prepared via the hydrothermal deposition of a NiFe-layered double hydroxide (NiFe-LDH) on nickel felt (NF). The half-cell test results showed that after 672 h, the voltage degradation was only 2 mV compared to the initial voltage (1 h). The single-cell test results showed that below 30 h, the cell underwent an activation–stabilisation process, while after 170 h, the voltage degradation was only 45 mV compared to that at 30 h. In situ electrochemical Raman spectroscopy revealed that the formation of Ni(Fe)OOH at high potentials enhanced the oxygen evolution reaction activity of the NiFe-LDH/NF electrode. Meanwhile, TEM and SEM morphological observations showed that the three-dimensional flower-like cluster structure formed by the NiFe-LDH sheets was responsible for the high durability of the NiFe-LDH/NF electrode in both half-cell and single-cell tests.
{"title":"Enhanced stability of NiFe-layered double hydroxide for anion exchange membrane water electrolysis in half-cell and single-cell long-term testing","authors":"Yan Wang, Xiaoyue Fu, Yuxiu He, Xiyuan Li, Yingjie Feng","doi":"10.1016/j.apsusc.2025.162729","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162729","url":null,"abstract":"Anion exchange membrane water electrolysis (AEMWE) is a promising hydrogen production technology for clean energy storage and conversion applications. However, in practical applications, AEMWE still face various challenges, such as slow reaction kinetics and a poor durability. This study simultaneously performed chronopotentiometry for 672 h in a half-cell (200 mA cm<sup>−2</sup>) and 170 h in a single-cell (500 mA cm<sup>−2</sup>) to comprehensively evaluate the durability of a NiFe-LDH/NF electrode prepared via the hydrothermal deposition of a NiFe-layered double hydroxide (NiFe-LDH) on nickel felt (NF). The half-cell test results showed that after 672 h, the voltage degradation was only 2 mV compared to the initial voltage (1 h). The single-cell test results showed that below 30 h, the cell underwent an activation–stabilisation process, while after 170 h, the voltage degradation was only 45 mV compared to that at 30 h. In situ electrochemical Raman spectroscopy revealed that the formation of Ni(Fe)OOH at high potentials enhanced the oxygen evolution reaction activity of the NiFe-LDH/NF electrode. Meanwhile, TEM and SEM morphological observations showed that the three-dimensional flower-like cluster structure formed by the NiFe-LDH sheets was responsible for the high durability of the NiFe-LDH/NF electrode in both half-cell and single-cell tests.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"11 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-18DOI: 10.1016/j.apsusc.2025.162717
Ziheng Jia, Xiaolei Song, Ziteng Su, Zhenxin Duan, Qi Sui, You Yang, Ying Han, Xu Ran, Yang Liu
TiAl alloys, known for their low density and high strength, are used as structural components in aircraft engines at high temperatures. Considering the high-temperature application environment, their oxidation resistance becomes an essential requirement. In this study, Ti-48Al-2Cr-2Nb alloy was buried in SiO2 powder and heat-treated at 1000 °C for 5 h under vacuum circumstance. After diffusion reaction, an ∼ 3 μm thick Al2O3/Ti5Si3 composite coating was successfully fabricated on the alloy surface. This novel coating was composed of a continuous Ti5Si3 layer and discontinuous Al2O3 layers surrounded by Ti5Si3. After 100 h oxidation, the mass gain of the coated sample was only 2.93 mg·cm−2, significantly lower than the 10.30 mg·cm−2 for the uncoated TiAl alloys. The higher oxidation temperature of the Ti5Si3 surface layer contributed to the excellent high-temperature oxidation resistance of the composite coating. Additionally, the formation of Al2O3 and SiO2 during oxidation and the presence of the discontinuous Al2O3 layers within the coating reduced the effective cross-sectional area for elemental diffusion, thereby delaying the inward diffusion of O and further enhancing the oxidation resistance.
{"title":"Enhancing the high-temperature oxidation resistance of TiAl alloy via a novel Al2O3/Ti5Si3 composite coating prepared through a modified pack cementation technique","authors":"Ziheng Jia, Xiaolei Song, Ziteng Su, Zhenxin Duan, Qi Sui, You Yang, Ying Han, Xu Ran, Yang Liu","doi":"10.1016/j.apsusc.2025.162717","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162717","url":null,"abstract":"TiAl alloys, known for their low density and high strength, are used as structural components in aircraft engines at high temperatures. Considering the high-temperature application environment, their oxidation resistance becomes an essential requirement. In this study, Ti-48Al-2Cr-2Nb alloy was buried in SiO<sub>2</sub> powder and heat-treated at 1000 °C for 5 h under vacuum circumstance. After diffusion reaction, an ∼ 3 μm thick Al<sub>2</sub>O<sub>3</sub>/Ti<sub>5</sub>Si<sub>3</sub> composite coating was successfully fabricated on the alloy surface. This novel coating was composed of a continuous Ti<sub>5</sub>Si<sub>3</sub> layer and discontinuous Al<sub>2</sub>O<sub>3</sub> layers surrounded by Ti<sub>5</sub>Si<sub>3</sub>. After 100 h oxidation, the mass gain of the coated sample was only 2.93 mg·cm<sup>−2</sup>, significantly lower than the 10.30 mg·cm<sup>−2</sup> for the uncoated TiAl alloys. The higher oxidation temperature of the Ti<sub>5</sub>Si<sub>3</sub> surface layer contributed to the excellent high-temperature oxidation resistance of the composite coating. Additionally, the formation of Al<sub>2</sub>O<sub>3</sub> and SiO<sub>2</sub> during oxidation and the presence of the discontinuous Al<sub>2</sub>O<sub>3</sub> layers within the coating reduced the effective cross-sectional area for elemental diffusion, thereby delaying the inward diffusion of O and further enhancing the oxidation resistance.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"1 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Palladium is widely used in hydrogen sensing due to its excellent catalytic dissociation of hydrogen. However, the size, dispersion and density of palladium particles affect its role in enhancing gas-sensitive properties. In this work, we use a simple and effective method to anchor Pd quantum dots with the help of surface oxygen vacancies. The sensing results show that the response value (S = Ra/Rg) of the material loaded with Pd quantum dots on surface oxygen vacancies (Pd-WO3/WOx) for 50 ppm hydrogen at 160℃ is 13.37. Moreover, the Pd-WO3/WOx material exhibits excellent selectivity and good linearity over the test range. Furthermore, experimental results and DFT calculations reveal that surface oxygen vacancies can shift the d-band center of metallic Pd upward, which enhances the adsorption of hydrogen by Pd. This study provides new ideas for designing high-performance precious metal-loaded metal oxide semiconductor hydrogen sensors.
{"title":"Oxygen vacancies engineering and palladium quantum dots sensitized WO3 nanosheet for highly efficiently H2 detection","authors":"Beixi An, Yifan Yang, Jiaqi Yan, Yanrong Wang, Ruixia Li, Zhengkun Wu, Tingyu Zhang, Ruiqi Han, Xu Cheng, Qiao Wang, Erqing Xie","doi":"10.1016/j.apsusc.2025.162722","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162722","url":null,"abstract":"Palladium is widely used in hydrogen sensing due to its excellent catalytic dissociation of hydrogen. However, the size, dispersion and density of palladium particles affect its role in enhancing gas-sensitive properties. In this work, we use a simple and effective method to anchor Pd quantum dots with the help of surface oxygen vacancies. The sensing results show that the response value (S = R<sub>a</sub>/R<sub>g</sub>) of the material loaded with Pd quantum dots on surface oxygen vacancies (Pd-WO<sub>3</sub>/WO<sub>x</sub>) for 50 ppm hydrogen at 160℃ is 13.37. Moreover, the Pd-WO<sub>3</sub>/WO<sub>x</sub> material exhibits excellent selectivity and good linearity over the test range. Furthermore, experimental results and DFT calculations reveal that surface oxygen vacancies can shift the d-band center of metallic Pd upward, which enhances the adsorption of hydrogen by Pd. This study provides new ideas for designing high-performance precious metal-loaded metal oxide semiconductor hydrogen sensors.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"13 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A novel organic nano-silicon material (NPs-SM) was synthesized by Mannich reaction using acetophenone, formaldehyde and amino silicon nanoparticles (Si NPs), which was prepared by KH550 and ascorbic acid through a simple one-step procedure. NPs-SM was characterized by FT-IR, XPS, SEM-EDS and TEM and studied of its slow-release performance. The inhibition efficiency was investigated with electrochemical impedance spectroscopy, potentiodynamic measurements, and mass loss analysis, respectively. Additionally, SEM, XPS, AFM and CA analyses were carried out to study the relationship between structural details and surficial performance of the protective layer formed on the steel. Intriguingly, the corrosion inhibition efficiency of NPs-SM significantly increases with increasing temperature in strong acid environments, reaching 94.94 %. This precisely matches the characteristics required for high-temperature and high acid corrosion inhibitors, this study is expected to provide new ideas for corrosion research under special conditions.
{"title":"Preparation of novel silica mannich base nanoparticles and corrosion inhibition properties on N80 steel under high acidic conditions","authors":"Chaocheng Ma, Zhengfeng Xie, Junming Miao, Wei Shi, Songsong Xue","doi":"10.1016/j.apsusc.2025.162715","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162715","url":null,"abstract":"A novel organic nano-silicon material (NPs-SM) was synthesized by Mannich reaction using acetophenone, formaldehyde and amino silicon nanoparticles (Si NPs), which was prepared by KH550 and ascorbic acid through a simple one-step procedure. NPs-SM was characterized by FT-IR, XPS, SEM-EDS and TEM and studied of its slow-release performance. The inhibition efficiency was investigated with electrochemical impedance spectroscopy, potentiodynamic measurements, and mass loss analysis, respectively. Additionally, SEM, XPS, AFM and CA analyses were carried out to study the relationship between structural details and surficial performance of the protective layer formed on the steel. Intriguingly, the corrosion inhibition efficiency of NPs-SM significantly increases with increasing temperature in strong acid environments, reaching 94.94 %. This precisely matches the characteristics required for high-temperature and high acid corrosion inhibitors, this study is expected to provide new ideas for corrosion research under special conditions.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"24 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-18DOI: 10.1016/j.apsusc.2025.162724
Zhuoyang Lou, Ling Du, Qi Liao, Ni Qin, Dinghua Bao
In this study, Mn-doping CoFe2O4 thin films were prepared by a sol–gel spin-coating method on Pt/Ti/SiO2/Si substrates for resistive memory application. It was confirmed that Mn ions were doped into Co ion sites. The MnxCo1-xFe2O4 thin films with Pt top and bottom electrodes have good resistive switching (RS) properties, such as relatively low forming voltage distribution and narrow Set/Reset voltage distribution, good cycling durability and time retention, especially when Mn doping content x is 0.15. The conduction mechanisms are ohmic behavior in the low-resistance state and Schottky emission in the high-field region in the high-resistance state. The RS mechanism can be explained through formation and fracture of oxygen vacancy filaments. The saturation magnetization strength of manganese-cobalt ferrite films is increased after Electro-forming process compared to the Fresh state, which is attributed to the change in oxygen vacancy concentration. This work demonstrates the potential of Mn-doping CoFe2O4 films to be used in resistive random access memory.
{"title":"Doping Mn ions at Co sites to improve resistive switching property of inverse spinel CoFe2O4 resistive random access memory devices","authors":"Zhuoyang Lou, Ling Du, Qi Liao, Ni Qin, Dinghua Bao","doi":"10.1016/j.apsusc.2025.162724","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162724","url":null,"abstract":"In this study, Mn-doping CoFe<sub>2</sub>O<sub>4</sub> thin films were prepared by a sol–gel spin-coating method on Pt/Ti/SiO<sub>2</sub>/Si substrates for resistive memory application. It was confirmed that Mn ions were doped into Co ion sites. The Mn<sub>x</sub>Co<sub>1-x</sub>Fe<sub>2</sub>O<sub>4</sub> thin films with Pt top and bottom electrodes have good resistive switching (RS) properties, such as relatively low forming voltage distribution and narrow Set/Reset voltage distribution, good cycling durability and time retention, especially when Mn doping content x is 0.15. The conduction mechanisms are ohmic behavior in the low-resistance state and Schottky emission in the high-field region in the high-resistance state. The RS mechanism can be explained through formation and fracture of oxygen vacancy filaments. The saturation magnetization strength of manganese-cobalt ferrite films is increased after Electro-forming process compared to the Fresh state, which is attributed to the change in oxygen vacancy concentration. This work demonstrates the potential of Mn-doping CoFe<sub>2</sub>O<sub>4</sub> films to be used in resistive random access memory.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"88 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443754","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-18DOI: 10.1016/j.apsusc.2025.162721
Shiyao Wang, Pengfei Zhang, Xi Zhang, Detao Xia, Peng Zhao, Jie Meng, Nengjie Feng, Hui Wan, Guofeng Guan
It is important to design and develop catalysts with good water resistance to cope with the toxicity of water vapor on catalyst activity. In this study, we proposed a simple method to improve the water resistance of catalysts for toluene catalytic combustion by preparing a series of Co-Ce composite oxide catalysts via a citrate sol–gel method. Experimental results showed that Co6Ce1Ox exhibited the best catalytic activity (T50 = 236 ℃; T90 = 251 ℃) and water resistance among all the catalysts. The crystal structure and surface chemistry of the catalysts were analyzed using a series of correlation characterizations, and the adsorption energies of toluene and water on the catalysts were calculated using density functional theory (DFT). The results showed that the doping of Ce in Co3O4 had not only effectively changed the oxygen distribution state of Co3O4 and increased its oxygen vacancy content, thus greatly enhancing the oxidizing ability of the catalyst, but also suppressed the adsorption of H2O on the surface of the catalyst, and significantly enhanced the water resistance of the catalyst. The present work provided a new idea and method for developing efficient and excellent water resistant catalysts for the catalytic oxidation of toluene.
{"title":"Tuning the water resistance of Co3O4 catalysts via Ce incorporation for enhanced catalytic oxidation of toluene","authors":"Shiyao Wang, Pengfei Zhang, Xi Zhang, Detao Xia, Peng Zhao, Jie Meng, Nengjie Feng, Hui Wan, Guofeng Guan","doi":"10.1016/j.apsusc.2025.162721","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162721","url":null,"abstract":"It is important to design and develop catalysts with good water resistance to cope with the toxicity of water vapor on catalyst activity. In this study, we proposed a simple method to improve the water resistance of catalysts for toluene catalytic combustion by preparing a series of Co-Ce composite oxide catalysts via a citrate sol–gel method. Experimental results showed that Co<sub>6</sub>Ce<sub>1</sub>O<sub>x</sub> exhibited the best catalytic activity (T<sub>50</sub> = 236 ℃; T<sub>90</sub> = 251 ℃) and water resistance among all the catalysts. The crystal structure and surface chemistry of the catalysts were analyzed using a series of correlation characterizations, and the adsorption energies of toluene and water on the catalysts were calculated using density functional theory (DFT). The results showed that the doping of Ce in Co<sub>3</sub>O<sub>4</sub> had not only effectively changed the oxygen distribution state of Co<sub>3</sub>O<sub>4</sub> and increased its oxygen vacancy content, thus greatly enhancing the oxidizing ability of the catalyst, but also suppressed the adsorption of H<sub>2</sub>O on the surface of the catalyst, and significantly enhanced the water resistance of the catalyst. The present work provided a new idea and method for developing efficient and excellent water resistant catalysts for the catalytic oxidation of toluene.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"40 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443756","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
To facilitate the application of Magnesium (Mg) alloys as biodegradable implants, multifunctional composite coating was fabricated by plasma electrolytic oxidation (PEO) in conjunction with hydrothermal and solvothermal methods on Mg-1Zn-1Gd (ZG11) alloy. The PEO coating was used as base layer, upon which a transition layer of ZnO was deposited by hydrothermal method. Finally, a metal organic framework (MOF, ZIF-8) outermost layer was synthetized by solvothermal method. It has been found that due to the introduction of MOF layer, the corrosion resistance, biocompatibility and even wear resistance of the coating was tremendously improved, which can primarily be attributable to the sealing and self-lubricating effects of ZIF-8 and the induced formation of hydroxyapatite (HAP) during degradation in simulated body fluid (SBF). Therefore, the present study spotlights the potential of MOF layer in the realm of biomaterials and holds considerable significance for the further development of biodegradable Mg alloys.
{"title":"Multifunctional MOF-based composite coating on Mg alloy for biodegradable orthopedic implants","authors":"Xiaopei Li, Rongguo Ke, Erli Lin, Jiacheng Liu, Dexin Chen, Song-Zhu Kure-Chu, Xiufeng Xiao","doi":"10.1016/j.apsusc.2025.162727","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162727","url":null,"abstract":"To facilitate the application of Magnesium (Mg) alloys as biodegradable implants, multifunctional composite coating was fabricated by plasma electrolytic oxidation (PEO) in conjunction with hydrothermal and solvothermal methods on Mg-1Zn-1Gd (ZG11) alloy. The PEO coating was used as base layer, upon which a transition layer of ZnO was deposited by hydrothermal method. Finally, a metal organic framework (MOF, ZIF-8) outermost layer was synthetized by solvothermal method. It has been found that due to the introduction of MOF layer, the corrosion resistance, biocompatibility and even wear resistance of the coating was tremendously improved, which can primarily be attributable to the sealing and self-lubricating effects of ZIF-8 and the induced formation of hydroxyapatite (HAP) during degradation in simulated body fluid (SBF). Therefore, the present study spotlights the potential of MOF layer in the realm of biomaterials and holds considerable significance for the further development of biodegradable Mg alloys.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"15 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443759","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Electrocatalytic ammonia synthesis is an attractive strategy for low-temperature ammonia production. Designing efficient electrocatalysts with high activity and selectivity for the nitrogen reduction reaction (NRR) remains a significant challenge. In this study, we demonstrate the feasibility of single-atom catalysts (SACs) for NRR using density functional theory (DFT) calculations, focusing on single transition metal (TM) atoms (from Sc to Zn) supported on nitrogen-doped carbon materials (CN4). The results show that N2 molecules can be efficiently activated on TMN4 in an end-on configuration, followed by the distal associative pathway to achieve NRR ammonia synthesis. Moreover, the calculation results of NRR reaction activity for ten TMN4 SACs reveal that CrN4 SAC exhibits high NRR activity with a limiting potential of −0.70 eV and greater reaction selectivity over the competing hydrogen evolution reaction (HER). Multiple-level descriptors (ΔG*N2, Bader charge, charge differential density, ELF, pCOHP, and PDOS) reveal the origin of NRR activity from the perspectives of energy and electronic structure. The dissolution potential and AIMD dynamic calculation further verify its structural stability. This work provides theoretical guidance for the rational design, screening, and development of efficient SACs for the NRR process.
{"title":"Theoretical study on the mechanism of electrocatalytic nitrogen reduction of ammonia with single-atom catalyst loaded on CN4","authors":"Dandan Xu, Beibei Yan, Qinghua Liu, Lidong Zhang, Jinglan Wang, Guanyi Chen, Zhanjun Cheng","doi":"10.1016/j.apsusc.2025.162726","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162726","url":null,"abstract":"Electrocatalytic ammonia synthesis is an attractive strategy for low-temperature ammonia production. Designing efficient electrocatalysts with high activity and selectivity for the nitrogen reduction reaction (NRR) remains a significant challenge. In this study, we demonstrate the feasibility of single-atom catalysts (SACs) for NRR using density functional theory (DFT) calculations, focusing on single transition metal (TM) atoms (from Sc to Zn) supported on nitrogen-doped carbon materials (CN<sub>4</sub>). The results show that N<sub>2</sub> molecules can be efficiently activated on TMN<sub>4</sub> in an end-on configuration, followed by the distal associative pathway to achieve NRR ammonia synthesis. Moreover, the calculation results of NRR reaction activity for ten TMN<sub>4</sub> SACs reveal that CrN<sub>4</sub> SAC exhibits high NRR activity with a limiting potential of −0.70 eV and greater reaction selectivity over the competing hydrogen evolution reaction (HER). Multiple-level descriptors (ΔG<sub>*N2</sub>, Bader charge, charge differential density, ELF, pCOHP, and PDOS) reveal the origin of NRR activity from the perspectives of energy and electronic structure. The dissolution potential and AIMD dynamic calculation further verify its structural stability. This work provides theoretical guidance for the rational design, screening, and development of efficient SACs for the NRR process.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"64 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Electrocatalytic water splitting is key for sustainable hydrogen production, requiring efficient catalysts. Morphological tailoring represents a promising strategy to optimize electrocatalytic performance by modifying material structures at the nanoscale. This study shows ZIF-67 transformation from nanocubes to rhombic dodecahedra when anchored to 3D NiAl-layered double hydroxide (LDH) nanosheets, enhancing its catalytic properties. The ZIF-67/NiAl-LDH/N composite showcases effective synergy, improving oxygen evolution reaction (OER) performance through better electron transfer. The rhombic dodecahedron’s greater surface area increases Co-based active sites, enhancing interaction with reactants. NiAl-LDH intrinsic catalytic properties from nickel further boost ZIF-67 performance. This composite demonstrates impressive durability and OER activity, with low overpotentials of 190 mV at 20 mA cm−2 and 260 mV at 50 mA cm−2, alongside a Tafel slope of 48 mV dec−1, indicating suitability for large-scale energy applications.
{"title":"Synergistic ZIF-67(Co) anchoring NiAl-LDH nanosheets: Morphology transformation for efficient electrocatalytic oxygen evolution reaction","authors":"Afsaneh Ahmadi , Mohammad Chahkandi , Mahboobeh Zargazi , Taymaz Tabari","doi":"10.1016/j.apsusc.2025.162718","DOIUrl":"10.1016/j.apsusc.2025.162718","url":null,"abstract":"<div><div>Electrocatalytic water splitting is key for sustainable hydrogen production, requiring efficient catalysts. Morphological tailoring represents a promising strategy to optimize electrocatalytic performance by modifying material structures at the nanoscale. This study shows ZIF-67 transformation from nanocubes to rhombic dodecahedra when anchored to 3D NiAl-layered double hydroxide (LDH) nanosheets, enhancing its catalytic properties. The ZIF-67/NiAl-LDH/N composite showcases effective synergy, improving oxygen evolution reaction (OER) performance through better electron transfer. The rhombic dodecahedron’s greater surface area increases Co-based active sites, enhancing interaction with reactants. NiAl-LDH intrinsic catalytic properties from nickel further boost ZIF-67 performance. This composite demonstrates impressive durability and OER activity, with low overpotentials of 190 mV at 20 mA cm<sup>−2</sup> and 260 mV at 50 mA cm<sup>−2</sup>, alongside a Tafel slope of 48 mV dec<sup>−1</sup>, indicating suitability for large-scale energy applications.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"692 ","pages":"Article 162718"},"PeriodicalIF":6.3,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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