The authors regret the incorrect text used in the Abstract section. The revised content is given below.
{"title":"Corrigendum to “The peculiarities of direct gallium nitride growth on silicon substrates after surface passivation with gallium atoms and indium as a surfactant” [Appl. Surf. Sci. 689 (2025) 162571]","authors":"P.V. Seredin, D.L. Goloshchapov, O.K. Kosheleva, N.S. Buylov, Y.A. Peshkov, K.A. Barkov, E.S. Kersnovsky, A.M. Mizerov, S.N. Timoshnev, M.S. Sobolev, D.V. Serikov, A.I. Chukavin, V.N. Nevedomskiy, S.A. Kukushkin","doi":"10.1016/j.apsusc.2025.162776","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162776","url":null,"abstract":"The authors regret the incorrect text used in the Abstract section. The revised content is given below.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"51 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143506798","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 : 2025-02-27DOI: 10.1016/j.apsusc.2025.162680
E. Torretti , F. Paparoni , J.D. Cook , A. D’Elia , A. Di Cicco , L. Douillard , M. Faure , A. Marcelli , M. Minicucci , W. O’Neill , E. Rollin , M. Sparkes , B. Spataro , N. Lockwood , S.J. Rezvani
Metal oxide-metal heterojunctions are tunable structural and electronic systems characterised by defect density and diffusion properties. The junction formation’s kinetics and adatoms surface energy affect both nucleation and diffusion processes. The mechanism and the dependence of structural and electronic properties on these parameters are still not truly understood. Structural and electronic configuration dynamics of MoO thin films deposited on metallic Cu and Si wafer are investigated by changing the kinetics of the deposition. Films obtained by Pulsed Laser Deposition and Thermal Evaporation techniques having different kinetic energy ranges are compared. It is shown that the diffusion competition between oxide and metallic elements on the amorphous layer plays a critical role in the formation of vacancies and the ionic redistribution within the junction. It is also shown that the metallic diffusion can be tuned via the interchange between the incident adatoms’ initial kinetic energy and the diffusion time during the post-deposition thermal life cycle. These results help to understand the mechanism of the ionic redistribution and dynamics at the oxide/metal junction, providing a tool for tuning structural and electronic properties.
{"title":"Interplay of deposition kinetics with metal diffusion in MoO3-Cu heterojunctions","authors":"E. Torretti , F. Paparoni , J.D. Cook , A. D’Elia , A. Di Cicco , L. Douillard , M. Faure , A. Marcelli , M. Minicucci , W. O’Neill , E. Rollin , M. Sparkes , B. Spataro , N. Lockwood , S.J. Rezvani","doi":"10.1016/j.apsusc.2025.162680","DOIUrl":"10.1016/j.apsusc.2025.162680","url":null,"abstract":"<div><div>Metal oxide-metal heterojunctions are tunable structural and electronic systems characterised by defect density and diffusion properties. The junction formation’s kinetics and adatoms surface energy affect both nucleation and diffusion processes. The mechanism and the dependence of structural and electronic properties on these parameters are still not truly understood. Structural and electronic configuration dynamics of MoO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> thin films deposited on metallic Cu and Si wafer are investigated by changing the kinetics of the deposition. Films obtained by Pulsed Laser Deposition and Thermal Evaporation techniques having different kinetic energy ranges are compared. It is shown that the diffusion competition between oxide and metallic elements on the amorphous layer plays a critical role in the formation of vacancies and the ionic redistribution within the junction. It is also shown that the metallic diffusion can be tuned via the interchange between the incident adatoms’ initial kinetic energy and the diffusion time during the post-deposition thermal life cycle. These results help to understand the mechanism of the ionic redistribution and dynamics at the oxide/metal junction, providing a tool for tuning structural and electronic properties.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"695 ","pages":"Article 162680"},"PeriodicalIF":6.3,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143518190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-27DOI: 10.1016/j.apsusc.2025.162807
Wuyi Gao, Lei Gao, Qiyun Deng, Yufei Xue, Qingyan Li, Jianchen Lu, Jinming Cai
Two-dimensional direct Z-scheme photocatalysts, which emulate natural photosynthetic processes, have shown remarkable success in advancing hydrogen production efficiency for solar-driven water splitting. Herein, based on first-principles calculations, Cu<sub>2</sub>Se/SIn<sub>2</sub>S, Cu<sub>2</sub>Se/SeIn<sub>2</sub>S, and Cu<sub>2</sub>Se/SeIn<sub>2</sub>Se are predicted as efficient Z-scheme photocatalysts for solar-driven water splitting. Owing to possessing a carrier migration mechanism of Z-scheme, HER and OER occur on the Cu<sub>2</sub>Se and XM<sub>2</sub>Y sides of Cu<sub>2</sub>Se/XM<sub>2</sub>Y vdWHs respectively, with enhanced redox capabilities (HER χ(H<sub>2</sub>) and OER χ(O<sub>2</sub>) ranging 0.21–0.32 eV and 0.52–0.83 eV respectively). Benefiting from that the alignment of intrinsic Janus electric field (<em>E</em><sub>Janus</sub>) and interfacial electric field (<em>E</em><sub>in</sub>) enhances carrier utilization, the solar-to-hydrogen efficiencies (<span><span style=""></span><span data-mathml='<math xmlns="http://www.w3.org/1998/Math/MathML"><msub is="true"><mi is="true">η</mi><mrow is="true"><mi mathvariant="normal" is="true">S</mi><mi mathvariant="normal" is="true">T</mi><mi mathvariant="normal" is="true">H</mi></mrow></msub></math>' role="presentation" style="font-size: 90%; display: inline-block; position: relative;" tabindex="0"><svg aria-hidden="true" focusable="false" height="1.855ex" role="img" style="vertical-align: -0.697ex;" viewbox="0 -498.8 2032.6 798.9" width="4.721ex" xmlns:xlink="http://www.w3.org/1999/xlink"><g fill="currentColor" stroke="currentColor" stroke-width="0" transform="matrix(1 0 0 -1 0 0)"><g is="true"><g is="true"><use xlink:href="#MJMATHI-3B7"></use></g><g is="true" transform="translate(497,-155)"><g is="true"><use transform="scale(0.707)" xlink:href="#MJMAIN-53"></use></g><g is="true" transform="translate(393,0)"><use transform="scale(0.707)" xlink:href="#MJMAIN-54"></use></g><g is="true" transform="translate(904,0)"><use transform="scale(0.707)" xlink:href="#MJMAIN-48"></use></g></g></g></g></svg><span role="presentation"><math xmlns="http://www.w3.org/1998/Math/MathML"><msub is="true"><mi is="true">η</mi><mrow is="true"><mi is="true" mathvariant="normal">S</mi><mi is="true" mathvariant="normal">T</mi><mi is="true" mathvariant="normal">H</mi></mrow></msub></math></span></span><script type="math/mml"><math><msub is="true"><mi is="true">η</mi><mrow is="true"><mi mathvariant="normal" is="true">S</mi><mi mathvariant="normal" is="true">T</mi><mi mathvariant="normal" is="true">H</mi></mrow></msub></math></script></span>) of Cu<sub>2</sub>Se/SeIn<sub>2</sub>S (16.29 %) surpasses those of Cu<sub>2</sub>Se/SIn<sub>2</sub>S (14.35 %) and Cu<sub>2</sub>Se/SeIn<sub>2</sub>Se (14.77 %), all of which exceed the critical threshold for economically viable <span><span style=""></span><span data-mathml='<math
{"title":"Cu2Se/SeIn2S van der Waals heterostructure: A direct Z-scheme efficient photocatalyst for solar-driven overall water splitting driven by an enhanced electric field","authors":"Wuyi Gao, Lei Gao, Qiyun Deng, Yufei Xue, Qingyan Li, Jianchen Lu, Jinming Cai","doi":"10.1016/j.apsusc.2025.162807","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162807","url":null,"abstract":"Two-dimensional direct Z-scheme photocatalysts, which emulate natural photosynthetic processes, have shown remarkable success in advancing hydrogen production efficiency for solar-driven water splitting. Herein, based on first-principles calculations, Cu<sub>2</sub>Se/SIn<sub>2</sub>S, Cu<sub>2</sub>Se/SeIn<sub>2</sub>S, and Cu<sub>2</sub>Se/SeIn<sub>2</sub>Se are predicted as efficient Z-scheme photocatalysts for solar-driven water splitting. Owing to possessing a carrier migration mechanism of Z-scheme, HER and OER occur on the Cu<sub>2</sub>Se and XM<sub>2</sub>Y sides of Cu<sub>2</sub>Se/XM<sub>2</sub>Y vdWHs respectively, with enhanced redox capabilities (HER χ(H<sub>2</sub>) and OER χ(O<sub>2</sub>) ranging 0.21–0.32 eV and 0.52–0.83 eV respectively). Benefiting from that the alignment of intrinsic Janus electric field (<em>E</em><sub>Janus</sub>) and interfacial electric field (<em>E</em><sub>in</sub>) enhances carrier utilization, the solar-to-hydrogen efficiencies (<span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub is=\"true\"><mi is=\"true\">&#x3B7;</mi><mrow is=\"true\"><mi mathvariant=\"normal\" is=\"true\">S</mi><mi mathvariant=\"normal\" is=\"true\">T</mi><mi mathvariant=\"normal\" is=\"true\">H</mi></mrow></msub></math>' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"1.855ex\" role=\"img\" style=\"vertical-align: -0.697ex;\" viewbox=\"0 -498.8 2032.6 798.9\" width=\"4.721ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><g is=\"true\"><use xlink:href=\"#MJMATHI-3B7\"></use></g><g is=\"true\" transform=\"translate(497,-155)\"><g is=\"true\"><use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-53\"></use></g><g is=\"true\" transform=\"translate(393,0)\"><use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-54\"></use></g><g is=\"true\" transform=\"translate(904,0)\"><use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-48\"></use></g></g></g></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub is=\"true\"><mi is=\"true\">η</mi><mrow is=\"true\"><mi is=\"true\" mathvariant=\"normal\">S</mi><mi is=\"true\" mathvariant=\"normal\">T</mi><mi is=\"true\" mathvariant=\"normal\">H</mi></mrow></msub></math></span></span><script type=\"math/mml\"><math><msub is=\"true\"><mi is=\"true\">η</mi><mrow is=\"true\"><mi mathvariant=\"normal\" is=\"true\">S</mi><mi mathvariant=\"normal\" is=\"true\">T</mi><mi mathvariant=\"normal\" is=\"true\">H</mi></mrow></msub></math></script></span>) of Cu<sub>2</sub>Se/SeIn<sub>2</sub>S (16.29 %) surpasses those of Cu<sub>2</sub>Se/SIn<sub>2</sub>S (14.35 %) and Cu<sub>2</sub>Se/SeIn<sub>2</sub>Se (14.77 %), all of which exceed the critical threshold for economically viable <span><span style=\"\"></span><span data-mathml='<math ","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"27 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143518194","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 : 2025-02-26DOI: 10.1016/j.apsusc.2025.162812
Minghui Liu , Xinyu Feng , Bosi Yin , Jiazhuo Li , Mudi Li , Yaxi Ding , Ying Sun , Hui Li , Wensheng Li , Siwen Zhang , Tianyi Ma
Zinc-based alkaline batteries (ZABs) have experienced tremendous breakthroughs in the past few years, particularly in the context of new energy storage solutions. Among various cathode materials, cobalt–nickel-based compounds have emerged as highly promising candidates. In this study, we introduce the novel synthesis of NiCo2O4 (NCO) and phase-transition CoNiO2 (PT-CNO) via glucose and hydrothermal methods for the first time in aqueous zinc-based alkaline batteries. The phase transition process effectively regulates the morphology of the material. Specifically, glucose reduction transforms the material’s structure from nanoflowers composed of stacked nanowires (NCO) to self-assembled sheet-like formations (PT-CNO). This morphological transformation enhances the electrochemical activity specific surface area of the electrode, increases the number of active sites, and facilitates the electrochemical energy storage process. Furthermore, the phase transition and resulting morphological changes enhance charge transfer and electrolyte penetration, significantly reducing side reactions between the material and the electrolyte and thereby improving electrode stability. The Zn//PT-CNO configuration demonstrated a remarkable capacity retention rate of 70% after 10,000 cycles at a current density of 6 A/g. The phase transition strategy employed and the cobalt–nickel-based materials developed in this study offer valuable insights for designing advanced cathode materials in the realm of renewable and sustainable energy.
{"title":"Regulation of Cobalt-Nickel-Based Compounds via Glucose-Induced Phase Transitions for Enhanced Performance in Zinc-Based Alkaline Batteries","authors":"Minghui Liu , Xinyu Feng , Bosi Yin , Jiazhuo Li , Mudi Li , Yaxi Ding , Ying Sun , Hui Li , Wensheng Li , Siwen Zhang , Tianyi Ma","doi":"10.1016/j.apsusc.2025.162812","DOIUrl":"10.1016/j.apsusc.2025.162812","url":null,"abstract":"<div><div>Zinc-based alkaline batteries (ZABs) have experienced tremendous breakthroughs in the past few years, particularly in the context of new energy storage solutions. Among various cathode materials, cobalt–nickel-based compounds have emerged as highly promising candidates. In this study, we introduce the novel synthesis of NiCo<sub>2</sub>O<sub>4</sub> (NCO) and phase-transition CoNiO<sub>2</sub> (PT-CNO) via glucose and hydrothermal methods for the first time in aqueous zinc-based alkaline batteries. The phase transition process effectively regulates the morphology of the material. Specifically, glucose reduction transforms the material’s structure from nanoflowers composed of stacked nanowires (NCO) to self-assembled sheet-like formations (PT-CNO). This morphological transformation enhances the electrochemical activity specific surface area of the electrode, increases the number of active sites, and facilitates the electrochemical energy storage process. Furthermore, the phase transition and resulting morphological changes enhance charge transfer and electrolyte penetration, significantly reducing side reactions between the material and the electrolyte and thereby improving electrode stability. The Zn//PT-CNO configuration demonstrated a remarkable capacity retention rate of 70% after 10,000 cycles at a current density of 6 A/g. The phase transition strategy employed and the cobalt–nickel-based materials developed in this study offer valuable insights for designing advanced cathode materials in the realm of renewable and sustainable energy.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"693 ","pages":"Article 162812"},"PeriodicalIF":6.3,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143496030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-26DOI: 10.1016/j.apsusc.2025.162813
Jiahui Xu , Hang Wang , Ihor I. Bulyk , Shengguo Zhou , Munan Yang , Bin Yang
NdFeB magnets display excellent magnetic properties, but severe corrosion often restricts their applications. Developing surface protection coatings is essential to mitigate this issue. In this study, Ti3C2Tx-Ni nanocomposite coatings were successfully deposited on NdFeB magnets through electrostatic self-assembly and pulsed-current electrodeposition. The results indicate that ammonia-modulated Ti3C2Tx-Ni nanocomposite coatings display excellent surface flatness and improved anti-wear and anti-corrosion properties. Microstructure analyses and density functional theory calculations reveal that NH3·H2O effectively modulates Ni2+ ion adsorption on Ti3C2Tx, alleviating Ti3C2Tx aggregation in the electrolyte. Further, the energy barrier for Cl- penetration into Ti3C2Tx is higher than that for Ni, providing significant support for enhancing the corrosion resistance of the Ti3C2Tx-Ni coating. This work presents a novel strategy for providing improved protection to NdFeB magnets using Ti3C2Tx-Ni nanocomposite coatings, thereby expanding their potential applications in harsh environments.
{"title":"Towards superior corrosion protection of NdFeB magnets by pulse electrodeposited Ti3C2Tx-Nickle nanocomposite coatings","authors":"Jiahui Xu , Hang Wang , Ihor I. Bulyk , Shengguo Zhou , Munan Yang , Bin Yang","doi":"10.1016/j.apsusc.2025.162813","DOIUrl":"10.1016/j.apsusc.2025.162813","url":null,"abstract":"<div><div>NdFeB magnets display excellent magnetic properties, but severe corrosion often restricts their applications. Developing surface protection coatings is essential to mitigate this issue. In this study, Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>-Ni nanocomposite coatings were successfully deposited on NdFeB magnets through electrostatic self-assembly and pulsed-current electrodeposition. The results indicate that ammonia-modulated Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>-Ni nanocomposite coatings display excellent surface flatness and improved anti-wear and anti-corrosion properties. Microstructure analyses and density functional theory calculations reveal that NH<sub>3</sub>·H<sub>2</sub>O effectively modulates Ni<sup>2+</sup> ion adsorption on Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>, alleviating Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> aggregation in the electrolyte. Further, the energy barrier for Cl<sup>-</sup> penetration into Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> is higher than that for Ni, providing significant support for enhancing the corrosion resistance of the Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>-Ni coating. This work presents a novel strategy for providing improved protection to NdFeB magnets using Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>-Ni nanocomposite coatings, thereby expanding their potential applications in harsh environments.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"694 ","pages":"Article 162813"},"PeriodicalIF":6.3,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143496032","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 : 2025-02-26DOI: 10.1016/j.apsusc.2025.162822
Zhiming Yan , Fengjiao Wang , Yikun Liu , Jun Zhang , Lu Liu , Mingyu Gao
Wettability is crucial in controlling fluid flow in shale reservoirs, significantly impacting both enhanced oil and gas recovery and CO2 geological storage. In this work, a high-pressure dynamic wettability mathematical model was established considering the roles of viscosity and adhesion to investigate the dynamic wettability of kerogen substrate at various CO2 pressures. The wettability of kerogen substrate gradually transitioned from intermediate-wet to strongly CO2-wet as CO2 pressure increased. From a molecular viewpoint, the water-wetness of kerogen substrate was mainly affected by van der Waals and hydrogen bonds between O atoms in the kerogen substrate and the OH group in water molecules. As CO2 pressure increased, a carbon dioxide film formed on the substrate due to competitive adsorption. The shielding effect of this film reduced both non-bond interactions and hydrogen bonds, resulting in lower water-wetness. From the viewpoint of activation free energy, CO2 pressure primarily affected the water-wetness of kerogen substrate by modifying solid–liquid interactions, with little effect on viscosity. As CO2 pressure increased, the activation free energy associated with adhesion increased, leading to a lower friction coefficient and a higher wettability activation energy. The link between the dynamic contact angle and the speed of contact line was first quantitatively characterized, and the dynamic wettability mechanism in the high-pressure CO2-H2O-kerogen system was clarified. The research provides new theoretical insights into fluid flow in nanopores and provides more reliable references for calculating the efficiency of enhanced oil and gas recovery and CO2 geological storage.
润湿性是控制页岩储层流体流动的关键,对提高油气采收率和二氧化碳地质封存都有重大影响。在这项工作中,考虑到粘度和粘附力的作用,建立了一个高压动态润湿性数学模型,以研究不同二氧化碳压力下角质原基质的动态润湿性。随着 CO2 压力的增加,角质层基底的润湿性从中度润湿逐渐过渡到强 CO2 润湿。从分子角度看,角质基质的水湿性主要受角质基质中 O 原子与水分子中 OH 基团之间的范德华键和氢键的影响。随着二氧化碳压力的增加,基质上会形成一层二氧化碳竞争吸附膜。这层膜的屏蔽作用减少了非键相互作用和氢键,从而降低了水的湿润性。从活化自由能的角度来看,二氧化碳压力主要通过改变固液相互作用来影响角质基质的水湿性,对粘度的影响很小。随着二氧化碳压力的增加,与粘附相关的活化自由能也随之增加,从而导致摩擦系数降低,润湿性活化能升高。该研究首次定量描述了动态接触角与接触线速度之间的联系,并阐明了高压 CO2-H2O-kerogen 体系中的动态润湿机制。该研究为纳米孔隙中的流体流动提供了新的理论见解,为计算提高油气采收率和二氧化碳地质封存效率提供了更可靠的参考。
{"title":"Effects of CO2 pressure on the dynamic wettability of the kerogen surface: Insights from a molecular perspective","authors":"Zhiming Yan , Fengjiao Wang , Yikun Liu , Jun Zhang , Lu Liu , Mingyu Gao","doi":"10.1016/j.apsusc.2025.162822","DOIUrl":"10.1016/j.apsusc.2025.162822","url":null,"abstract":"<div><div>Wettability is crucial in controlling fluid flow in shale reservoirs, significantly impacting both enhanced oil and gas recovery and CO<sub>2</sub> geological storage. In this work, a high-pressure dynamic wettability mathematical model was established considering the roles of viscosity and adhesion to investigate the dynamic wettability of kerogen substrate at various CO<sub>2</sub> pressures. The wettability of kerogen substrate gradually transitioned from intermediate-wet to strongly CO<sub>2</sub>-wet as CO<sub>2</sub> pressure increased. From a molecular viewpoint, the water-wetness of kerogen substrate was mainly affected by van der Waals and hydrogen bonds between O atoms in the kerogen substrate and the OH group in water molecules. As CO<sub>2</sub> pressure increased, a carbon dioxide film formed on the substrate due to competitive adsorption. The shielding effect of this film reduced both non-bond interactions and hydrogen bonds, resulting in lower water-wetness. From the viewpoint of activation free energy, CO<sub>2</sub> pressure primarily affected the water-wetness of kerogen substrate by modifying solid–liquid interactions, with little effect on viscosity. As CO<sub>2</sub> pressure increased, the activation free energy associated with adhesion increased, leading to a lower friction coefficient and a higher wettability activation energy. The link between the dynamic contact angle and the speed of contact line was first quantitatively characterized, and the dynamic wettability mechanism in the high-pressure CO<sub>2</sub>-H<sub>2</sub>O-kerogen system was clarified. The research provides new theoretical insights into fluid flow in nanopores and provides more reliable references for calculating the efficiency of enhanced oil and gas recovery and CO<sub>2</sub> geological storage.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"694 ","pages":"Article 162822"},"PeriodicalIF":6.3,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143496031","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 : 2025-02-26DOI: 10.1016/j.apsusc.2025.162821
Yiyao Kang , Weiwei Liu , Xiaoya Wang , Zeyun Cai , Jin Li , Xuesong Leng , Hongsheng Chen
The corrosion behavior of heat-resistant alloys with different Fe contents in high-temperature supercritical CO2 was investigated by simulation and experiment. Results shown that CO2 molecules preferentially reacted with Cr to form Cr2O3. Cr2O3 layers were formed on all heat-resistant alloys. A middle Fe3O4 layer was formed in the Cr2O3 layers and Cr23C6 carbides were generated in the sub-layer matrix of Fe-containing alloys. The weight gains of alloys gradually increased with Fe content. The formation of Fe3O4 in the middle of Cr2O3 layer led to greater weight gain compared to Fe-free alloy. Fe-free alloy exhibited higher resistance to oxidation and carburization.
{"title":"Effect of Fe content on corrosion behavior of heat-resistance alloys in high-temperature supercritical carbon dioxide","authors":"Yiyao Kang , Weiwei Liu , Xiaoya Wang , Zeyun Cai , Jin Li , Xuesong Leng , Hongsheng Chen","doi":"10.1016/j.apsusc.2025.162821","DOIUrl":"10.1016/j.apsusc.2025.162821","url":null,"abstract":"<div><div>The corrosion behavior of heat-resistant alloys with different Fe contents in high-temperature supercritical CO<sub>2</sub> was investigated by simulation and experiment. Results shown that CO<sub>2</sub> molecules preferentially reacted with Cr to form Cr<sub>2</sub>O<sub>3</sub>. Cr<sub>2</sub>O<sub>3</sub> layers were formed on all heat-resistant alloys. A middle Fe<sub>3</sub>O<sub>4</sub> layer was formed in the Cr<sub>2</sub>O<sub>3</sub> layers and Cr<sub>23</sub>C<sub>6</sub> carbides were generated in the sub-layer matrix of Fe-containing alloys. The weight gains of alloys gradually increased with Fe content. The formation of Fe<sub>3</sub>O<sub>4</sub> in the middle of Cr<sub>2</sub>O<sub>3</sub> layer led to greater weight gain compared to Fe-free alloy. Fe-free alloy exhibited higher resistance to oxidation and carburization.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"693 ","pages":"Article 162821"},"PeriodicalIF":6.3,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495632","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 : 2025-02-25DOI: 10.1016/j.apsusc.2025.162808
Arshad Yazdanpanah, Alice De Pietri, Amira Ben Hjal, Mona Khodabakhshi, Lara Biasiolo, Manuele Dabalà
This study examines the effects of various surface treatments such as solution annealing, nitric acid passivation, kolsterising, and diamond-like carbon (DLC) coating on the corrosion resistance of 316LVM austenitic stainless steel in simulated body fluid (SBF) environment, focusing on biomedical applications. Electrochemical impedance spectroscopy (EIS), Mott-Schottky analysis, and microcapillary techniques were used to evaluate passive layer stability and barrier properties. Results show that solution annealing and nitric acid passivation enhance chromium-rich oxide formation, yielding a more stable passive layer, while kolsterising reduces passive layer integrity leading to severe crevice corrosion attack. Although DLC coating effectively eliminated crevice corrosion occurrence, it exhibited highly localized pitting at defective sites.
{"title":"Electrochemical and localized corrosion characteristics of kolsterised and DLC-coated 316LVM stainless steel for biomedical applications","authors":"Arshad Yazdanpanah, Alice De Pietri, Amira Ben Hjal, Mona Khodabakhshi, Lara Biasiolo, Manuele Dabalà","doi":"10.1016/j.apsusc.2025.162808","DOIUrl":"10.1016/j.apsusc.2025.162808","url":null,"abstract":"<div><div>This study examines the effects of various surface treatments such as solution annealing, nitric acid passivation, kolsterising, and diamond-like carbon (DLC) coating on the corrosion resistance of 316LVM austenitic stainless steel in simulated body fluid (SBF) environment, focusing on biomedical applications. Electrochemical impedance spectroscopy (EIS), Mott-Schottky analysis, and microcapillary techniques were used to evaluate passive layer stability and barrier properties. Results show that solution annealing and nitric acid passivation enhance chromium-rich oxide formation, yielding a more stable passive layer, while kolsterising reduces passive layer integrity leading to severe crevice corrosion attack. Although DLC coating effectively eliminated crevice corrosion occurrence, it exhibited highly localized pitting at defective sites.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"693 ","pages":"Article 162808"},"PeriodicalIF":6.3,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-25DOI: 10.1016/j.apsusc.2025.162759
C. Sanchez-Perez , P. Rivas-Lazaro , E. García-Tabarés , I. García
A comprehensive evaluation of the effect and limitations of variable current density and electrolyte composition on layer porosity and microstructure changes of porous silicon (pSi) multilayer stacks is reported. Following these results, the development and optimization of a four-layer stack architecture is reported through addition of super-low porosity layers (SLPL) on a low/high porosity layer (LPL/HLP) stack. Thermal treatment of these structures achieved excellent top and bottom surface reconstruction to form sintered porous silicon (SPS) detachable foils, enabling direct foil separation using cello tape from a smooth and specular parent substrate without the need to cut or damage it.
{"title":"Ultra-flexible silicon foils with seamless detachability: The effect of porous multilayered structures prepared through modulated electrolyte composition","authors":"C. Sanchez-Perez , P. Rivas-Lazaro , E. García-Tabarés , I. García","doi":"10.1016/j.apsusc.2025.162759","DOIUrl":"10.1016/j.apsusc.2025.162759","url":null,"abstract":"<div><div>A comprehensive evaluation of the effect and limitations of variable current density and electrolyte composition on layer porosity and microstructure changes of porous silicon (pSi) multilayer stacks is reported. Following these results, the development and optimization of a four-layer stack architecture is reported through addition of super-low porosity layers (SLPL) on a low/high porosity layer (LPL/HLP) stack. Thermal treatment of these structures achieved excellent top and bottom surface reconstruction to form sintered porous silicon (SPS) detachable foils, enabling direct foil separation using cello tape from a smooth and specular parent substrate without the need to cut or damage it.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"695 ","pages":"Article 162759"},"PeriodicalIF":6.3,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495635","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}
TiAl alloys are promising materials for high-temperature applications due to their lightweight and superior mechanical properties, but their oxidation resistance significantly deteriorates above 700°C. Anodization in fluorine electrolyte has emerged as an effective strategy to address this challenge. In this study, we systematically investigated the role of water content in NH4F/ethylene glycol electrolyte on the microstructure and oxidation performance of anodized Ti45Al8.5Nb alloy. Results revealed that water content critically influences the oxygen source and fluoride enrichment in the anodic film. Anodization in anhydrous electrolyte results in the formation of a mixture loose oxide scale due to the volatilization of organic component from the anodic film and elevated oxygen partial pressure at the anodic film/substrate interface. In contrast, introducing 2% water promotes the development of a compact Al2O3-based oxide scale. After 100 h oxidation at 1000 °C, the weight gain of Ti45Al8.5Nb alloy anodized in the electrolyte with optimal water content was less than half of the sample anodized in anhydrous electrolyte.
{"title":"Unraveling the effect of water content in the electrolyte on the microstructure and oxidation performance of anodized Ti45Al8.5Nb alloy","authors":"Zhao-Tao Zhuang , Ji-Jian Guo , Jun-Yue Liang , Ruo-Zhan Yin , Wan-Yuan Gui , Qing-Qing Sun , Lian-Kui Wu , Fa–He Cao","doi":"10.1016/j.apsusc.2025.162736","DOIUrl":"10.1016/j.apsusc.2025.162736","url":null,"abstract":"<div><div>TiAl alloys are promising materials for high-temperature applications due to their lightweight and superior mechanical properties, but their oxidation resistance significantly deteriorates above 700°C. Anodization in fluorine electrolyte has emerged as an effective strategy to address this challenge. In this study, we systematically investigated the role of water content in NH<sub>4</sub>F/ethylene glycol electrolyte on the microstructure and oxidation performance of anodized Ti45Al8.5Nb alloy. Results revealed that water content critically influences the oxygen source and fluoride enrichment in the anodic film. Anodization in anhydrous electrolyte results in the formation of a mixture loose oxide scale due to the volatilization of organic component from the anodic film and elevated oxygen partial pressure at the anodic film/substrate interface. In contrast, introducing 2% water promotes the development of a compact Al<sub>2</sub>O<sub>3</sub>-based oxide scale. After 100 h oxidation at 1000 °C, the weight gain of Ti45Al8.5Nb alloy anodized in the electrolyte with optimal water content was less than half of the sample anodized in anhydrous electrolyte.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"693 ","pages":"Article 162736"},"PeriodicalIF":6.3,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143485528","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}