Applied Surface Science最新文献

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MXene@Cu2-xSe heteroarchitectures with synergistic redox-active sites for advanced asymmetric supercapacitors MXene@Cu2-xSe具有协同氧化还原活性位点的先进非对称超级电容器异质结构
IF 6.9 2区 材料科学
Applied Surface Science Pub Date : 2025-07-22 DOI: 10.1016/j.apsusc.2025.164132
Xuan Wei , Linlin Li , Feng Chen , Wanzhong Feng , Hongyue Wu
{"title":"MXene@Cu2-xSe heteroarchitectures with synergistic redox-active sites for advanced asymmetric supercapacitors","authors":"Xuan Wei ,&nbsp;Linlin Li ,&nbsp;Feng Chen ,&nbsp;Wanzhong Feng ,&nbsp;Hongyue Wu","doi":"10.1016/j.apsusc.2025.164132","DOIUrl":"10.1016/j.apsusc.2025.164132","url":null,"abstract":"<div><div>A novel MXene@Cu<sub>2-x</sub>Se hybrid electrode has been successfully synthesized through a facile in situ selenization strategy. The two-dimensional layered architecture and abundant surface terminations of MXene provide favorable pathways for efficient ion diffusion and charge storage, while the incorporation of Cu<sub>2-x</sub>Se nanoparticles significantly enhances the composite’s electroactive surface area and pseudocapacitive contributions. Systematic electrochemical characterization reveals that the MXene@Cu<sub>2-x</sub>Se composite demonstrates a high specific capacitance of 384.0 F g<sup>−1</sup> at 1 A g<sup>−1</sup> in a three-electrode configuration. An asymmetric supercapacitor device was assembled using MXene@Cu<sub>2-x</sub>Se as the positive electrode and activated carbon as the negative electrode, achieving a remarkable energy density of 71.1 Wh kg<sup>−1</sup> at a power density of 800 W kg<sup>−1</sup>. Furthermore, the device exhibits outstanding cycling stability with 76.2 % capacitance retention after 8,000 charge–discharge cycles, demonstrating its potential for practical energy storage applications.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"712 ","pages":"Article 164132"},"PeriodicalIF":6.9,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144684677","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}
引用次数: 0
Study of soybean oil-based hydroxamic acid as an efficient flotation collector for ilmenite flotation separation 大豆油基羟肟酸作为钛铁矿浮选分离高效捕收剂的研究
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-07-22 DOI: 10.1016/j.apsusc.2025.164078
Jinxia Zhang, Hongtao Li, Fusheng Niu, Chao Yang, Zehong Cheng, Yuying Chen
{"title":"Study of soybean oil-based hydroxamic acid as an efficient flotation collector for ilmenite flotation separation","authors":"Jinxia Zhang, Hongtao Li, Fusheng Niu, Chao Yang, Zehong Cheng, Yuying Chen","doi":"10.1016/j.apsusc.2025.164078","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164078","url":null,"abstract":"In this study, a novel green ilmenite collector, soybean oil-based hydroxamic acid (SOHA), was synthesized, and its selective flotation performance between ilmenite and chlorite was systematically evaluated. Micro-flotation test using artificially mixed ores showed that under neutral conditions with a SOHA dosage of 300 mg/L, the TiO<sub>2</sub> grade reached 39.51 %, and the recovery rate achieved 94.57 %. Adsorption measurements indicated that the adsorption capacity of SOHA-treated ilmenite was significantly higher than chlorite. Contact angle and Zeta potential tests revealed that SOHA selectively adsorbed onto the surface of ilmenite, creating a hydrophobic environment. The adsorption of SOHA-treated ilmenite was significantly higher than chlorite, with the isoelectric point shifting from 4.9 to 3.9, facilitating interaction between ilmenite and the collector. FT-IR analysis showed that SOHA formed chemical adsorption on the surface of ilmenite, while physical adsorption dominated on chlorite. XPS further confirmed that SOHA adsorbed onto the surface of ilmenite through chemical interactions and weakly adsorbed on chlorite via electrostatic interactions with the Si-O structure. This study demonstrates that soybean oil-based hydroxamic acid (SOHA), synthesized through molecular design, exhibits excellent collecting power and selectivity in the ilmenite-chlorite flotation system, providing theoretical support and technical guidance for developing green flotation reagents for ilmenite.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"46 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144684694","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}
引用次数: 0
Oil microdroplet-containing biphasic coatings via micellar dynamics: ultra-low friction and shielding of filler/resin interfacial fragility 通过胶束动力学的含油微滴双相涂层:超低摩擦和屏蔽填料/树脂界面的脆弱性
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-07-22 DOI: 10.1016/j.apsusc.2025.164124
Zhongpan Zhang, Xiaoqiang Fan, Guoshuang Hua, Minhao Zhu
{"title":"Oil microdroplet-containing biphasic coatings via micellar dynamics: ultra-low friction and shielding of filler/resin interfacial fragility","authors":"Zhongpan Zhang, Xiaoqiang Fan, Guoshuang Hua, Minhao Zhu","doi":"10.1016/j.apsusc.2025.164124","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164124","url":null,"abstract":"Solid filler-reinforced epoxy coatings face two inherent challenges: achieving durable ultra-low friction (μ &lt; 0.05) and preventing interfacial degradation at highly reactive resin/filler interfaces. Harnessing the intrinsic hydrophobicity, defect-compensation capability, and boundary lubrication potential of oil-phase components, this study develops a liquid-phase reinforcement strategy to address the interfacial challenges. Here, oily graphene oxide (TG) microdroplets (T-G) were uniformly dispersed in epoxy resin (EP) via a micellar loading-desorption method, yielding an oil-solid biphasic coating (T-G/EP). The system was further enhanced through micro-arc oxidation (MAO) interlayer integration, establishing a synergistic protective architecture (T-G/EP-on-MAO). T-G/EP-on-MAO exhibited a 92.13 % reduction in friction coefficient (from 0.623 to 0.049) and a 59.52 % decrease in wear rate (from 16.947 × 10<sup>−5</sup> to 6.860 × 10<sup>−5</sup> mm<sup>3</sup>/N·m) compared to EP. This enhancement originates from the in situ formation of an oil-based lubricant film enhanced by TG at sliding interfaces. After four weeks of electrochemical testing, T-G/EP-on-MAO exhibited the highest log(Rc) value (Rc = coating resistance) of 7.42. Molecular dynamics simulations unveiled dual protective mechanisms: (i) Oil microdroplets suppress free volume through enhanced molecular packing, concurrently reducing water diffusion coefficients; (ii) Water infiltration preferentially induces intermolecular hydrogen bonding over interactions with highly reactive atoms at TG/resin interfaces, thereby shielding the filler/resin interfacial fragility and restricting water mobility.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"14 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144677287","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}
引用次数: 0
High-quality grating-coupled surface plasmon resonances in silver and gold bumps arrays fabricated in thin metallic films using the third harmonic of femtosecond laser 利用飞秒激光的三次谐波在金属薄膜中制造出高质量的光栅耦合表面等离子体共振
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-07-22 DOI: 10.1016/j.apsusc.2025.164127
Rodrigas Liudvinavičius, Kernius Vilkevičius, Evaldas Stankevičius
{"title":"High-quality grating-coupled surface plasmon resonances in silver and gold bumps arrays fabricated in thin metallic films using the third harmonic of femtosecond laser","authors":"Rodrigas Liudvinavičius, Kernius Vilkevičius, Evaldas Stankevičius","doi":"10.1016/j.apsusc.2025.164127","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164127","url":null,"abstract":"Grating-coupled surface plasmon resonances, generated by periodic metal nanostructure arrays, exhibit strong optical confinement and enhanced field localization. Due to their unique properties, these resonances are interesting in biosensing, nanolasing, surface-enhanced spectroscopy, and nonlinear optics. Here, large-scale bumps arrays fabricated with a wavelength-scale period in silver and gold films by using a direct laser writing technique are presented. These structures exhibit strong plasmonic resonances in Vis and NIR ranges whose quality depends on the coupling conditions and can exceed 100. The highest quality factor of resonances is achieved with p-polarized light. The measured dependence of grating-coupled surface plasmon resonance wavelengths of gold and silver bumps arrays on the incident angle is in good agreement with theoretical considerations. The demonstrated laser-based method shows significant technological progress in the fabrication of gold and silver nanostructures arrays supporting high-quality surface plasmon resonances.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"25 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144684596","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}
引用次数: 0
Experimental and theoretical approach elucidating adsorption and anti-corrosion property of bis-Schiff bases on mild steel in aqueous HCl: effect of extended conjugation 研究双希夫碱在低碳钢水溶液中吸附和防腐性能的实验和理论方法:扩展共轭效应
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-07-22 DOI: 10.1016/j.apsusc.2025.164130
Rakhi Senapati, S. Srikaran, Sourav Kumar Ray, Debasish Paul, Subhas Ghosal, Soumit Chatterjee, Dipankar Sukul
{"title":"Experimental and theoretical approach elucidating adsorption and anti-corrosion property of bis-Schiff bases on mild steel in aqueous HCl: effect of extended conjugation","authors":"Rakhi Senapati, S. Srikaran, Sourav Kumar Ray, Debasish Paul, Subhas Ghosal, Soumit Chatterjee, Dipankar Sukul","doi":"10.1016/j.apsusc.2025.164130","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164130","url":null,"abstract":"The effect of extended conjugation towards the adsorption of organic bis-Schiff bases (bis-SBs) on the mild steel surface and subsequent corrosion inhibition of the later in 1 M aqueous HCl is demonstrated. Four different bis-SBs with varied extent of π-conjugation are synthesized, namely 1,2-bis(3-phenylallylidene) hydrazine (SB1), <em>N,N’</em>-(1,4-phenylene)bis(3-phenylprop-2-en-1-imine) (SB2), <em>N,N’</em>-(methylene-bis(4,1-phenylene))bis(3-phenylprop-2-en-1-imine) (SB3) and <em>N,N’</em>-(1,4-phenylene)bis(3-phenylpropan-1-imine) (SB4). SB2, having the longest π −conjugation, exhibits maximum corrosion inhibition efficiency (IE 97 % at 1 mM and 30 °C). SB4, which is structurally comparable to SB2, but devoid of conjugation with the terminal benzene rings, exhibits lower IE (95.2 % under same concentration and temperature). SB3, with highest π-electron density, but without the extended conjugation throughout the molecular surface, delivers lower IE than SB2 (96.6 % at 1 mM and 30 °C). SB1 with IE of 94.8 % at similar experimental condition bestows minimal corrosion mitigation potentiality as it possesses least π-electron density. Apart from π-conjugation, the nature and extent of interaction between the inhibitor molecules and the mild steel also depend on several other factors, like spatial orientation, electronic properties, electrophilicity and the nucleophilicity of the atoms present in the bis-SBs. These aspects are addressed from DFT calculation, Fukui indices, MD simulation and DFT-tight binding method (DFTB+).","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"113 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144684678","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}
引用次数: 0
2D-2D heterojunction engineering for enhanced photothermal CO2 reduction: synergistic effect of deprotonation and LSPR on Ultrathin BiOI/Ti3C2 nanosheets 增强光热CO2还原的2D-2D异质结工程:去质子化和LSPR对超薄BiOI/Ti3C2纳米片的协同效应
IF 6.3 2区 材料科学
Applied Surface Science Pub Date : 2025-07-22 DOI: 10.1016/j.apsusc.2025.164131
Tongtong Li , Ran Tao , Dongke Li , Dabo Liu , Sainan Zhou , Zhenming Chu , Xiaoxing Fan
{"title":"2D-2D heterojunction engineering for enhanced photothermal CO2 reduction: synergistic effect of deprotonation and LSPR on Ultrathin BiOI/Ti3C2 nanosheets","authors":"Tongtong Li ,&nbsp;Ran Tao ,&nbsp;Dongke Li ,&nbsp;Dabo Liu ,&nbsp;Sainan Zhou ,&nbsp;Zhenming Chu ,&nbsp;Xiaoxing Fan","doi":"10.1016/j.apsusc.2025.164131","DOIUrl":"10.1016/j.apsusc.2025.164131","url":null,"abstract":"<div><div>Due to the shortage of protons and electrons in carbon dioxide (CO<sub>2</sub>) reduction experiments, the current catalytic process is facing efficiency issues. This study synthesized Ti<sub>3</sub>C<sub>2</sub> Mxene through etching and ultrasonic exfoliation, and integrated BiOI nanosheets with Ti<sub>3</sub>C<sub>2</sub> using solvothermal method to create a 2D/2D BiOI/Ti<sub>3</sub>C<sub>2</sub> Schottky heterojunction. The oxygen vacancies in BiOI capture water molecules for deprotonation, providing sufficient protons for photocatalytic CO<sub>2</sub> reduction reactions. Due to the formation of 2D/2D Schottky heterojunctions, utilizing large heterojunction interfaces and short carrier migration paths facilitates charge separation and transfer, thereby improving the charge separation efficiency at heterojunction interfaces. In addition, the localized surface plasmon resonance (LSPR) effect of Ti<sub>3</sub>C<sub>2</sub> enhances catalytic activity by promoting the generation of hot electrons and converting light energy into thermal energy, thereby generating a photothermal synergistic effect. Under simulated sunlight, BiOI/Ti<sub>3</sub>C<sub>2</sub> nanosheets significantly improved the photocatalytic CO<sub>2</sub> reduction efficiency, producing 4.8 times and 5.3 times more carbon monoxide (CO) than using BiOI and Ti<sub>3</sub>C<sub>2</sub> alone. After three cycles of experiments, the catalytic performance of the composite material remains stable, and the loss can be ignored. These findings provide valuable insights into catalyst design for future CO<sub>2</sub> reduction applications.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"712 ","pages":"Article 164131"},"PeriodicalIF":6.3,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144684592","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}
引用次数: 0
Understanding the interfacial changes of PtCo3O4 catalysts during the dehydrogenation of ammonia borane 了解氨硼烷脱氢过程中PtCo3O4催化剂的界面变化
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-07-21 DOI: 10.1016/j.apsusc.2025.164116
Silvio Bellomi, Daniel C. Cano-Blanco, Yaning Han, Juan J. Delgado, Xiaowei Chen, Kirill A. Lomachenko, Ilaria Barlocco, Davide Ferri, Alberto Roldan, Alberto Villa
{"title":"Understanding the interfacial changes of PtCo3O4 catalysts during the dehydrogenation of ammonia borane","authors":"Silvio Bellomi, Daniel C. Cano-Blanco, Yaning Han, Juan J. Delgado, Xiaowei Chen, Kirill A. Lomachenko, Ilaria Barlocco, Davide Ferri, Alberto Roldan, Alberto Villa","doi":"10.1016/j.apsusc.2025.164116","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164116","url":null,"abstract":"The redox properties of oxides are critical in catalysis and can be modified at the interface between oxides and metals; as a consequence, working catalysts can be reconstructed. Herein, the influence of metal-support interactions on the interface between Pt and Co<sub>3</sub>O<sub>4</sub> was disclosed during the batch ammonia borane decomposition. Co<sub>3</sub>O<sub>4</sub> with and without decorating Pt were compared, and tested against Pt on a non-reducible oxide (PtAl<sub>2</sub>O<sub>3</sub>). The kinetic profiles were analysed using kinetic models, and both fresh and used samples were characterised using XRD, XPS, XAS, HR-TEM, CO adsorption by IR, and <em>in situ</em> ATR-IR. The combined study revealed an enhanced reaction rate for PtCo<sub>3</sub>O<sub>4</sub> and its reconstruction under reaction conditions due to metal-support interaction, and disclosed the nature of the stable active sites formed under reaction conditions. Indeed, during the reaction, metallic Pt re-distributed, and the H-spillover to the support reduced the surface of Co<sub>3</sub>O<sub>4</sub>, leading to Pt clusters on Co(II)-enriched Co<sub>3</sub>O<sub>4</sub>. Atomic-scale insights on the surface redox properties of the catalysts were then obtained through DFT, and the modification of PtCo<sub>3</sub>O<sub>4</sub> was attributed to the facile reduction of octahedral Co(III) ions at the metal/oxide interface, and rationalised as a consequence of charge transfer from Pt to Co<sub>3</sub>O<sub>4</sub>.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"20 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144677289","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}
引用次数: 0
Comparative study of plasma surface modification of temperature-sensitive ionoplast by two atmospheric N2 APPJ 两种常压N2 APPJ等离子体表面改性温度敏感电离体的比较研究
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-07-21 DOI: 10.1016/j.apsusc.2025.164114
Jianyu Feng, Richard Krumpolec, Ali Jamaati Kenari, Monika Stupavská, Dušan Kováčik, Mirko Černák
{"title":"Comparative study of plasma surface modification of temperature-sensitive ionoplast by two atmospheric N2 APPJ","authors":"Jianyu Feng, Richard Krumpolec, Ali Jamaati Kenari, Monika Stupavská, Dušan Kováčik, Mirko Černák","doi":"10.1016/j.apsusc.2025.164114","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164114","url":null,"abstract":"This work aimed to enhance the surface properties of SentryGlas (SG) ionoplast for laminated safety glass using two nitrogen-based atmospheric pressure plasma sources: a commercial plasma curtain (ULD 60) and a novel linear atmospheric pressure plasma jet (APPJ) based on Diffuse Coplanar Surface Barrier Discharge (DCSBD) technology (DCSBD linear APPJ). The wettability and adhesion properties were evaluated through the water contact angle (WCA) and adhesion measurement. Surface chemistry was investigated by XPS and the morphology changes by SEM measurements. WCA results demonstrated that both plasma sources significantly improved the wettability of the SG ionoplast, with the ULD 60 exhibiting slightly superior performance. However, the DCSBD linear APPJ plasma treatment resulted in better stability and a slower ageing effect. XPS analysis showed that more oxygen-enriched or nitrogen-enriched functional groups were introduced onto the SG ionoplast surface after plasma treatment. SEM observations indicated that the ULD 60 induced notable morphological changes on the surface at a smaller treatment distance (10 mm and 30 mm), whereas the DCSBD linear APPJ did not induce any obvious morphological changes within the range of 10–80 mm. Adhesion measurements confirmed that both plasma treatments significantly improved the adhesion properties of the SG ionoplast.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"99 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144677377","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}
引用次数: 0
First-principles insights into the incorporation of arsenic in BaSi2 thin films grown by molecular beam epitaxy 分子束外延生长BaSi2薄膜中砷掺入的第一性原理研究
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-07-21 DOI: 10.1016/j.apsusc.2025.164119
Nurfauzi Abdillah, Sho Aonuki, Yuka Fukaya, Kaoru Toko, Takashi Suemasu
{"title":"First-principles insights into the incorporation of arsenic in BaSi2 thin films grown by molecular beam epitaxy","authors":"Nurfauzi Abdillah, Sho Aonuki, Yuka Fukaya, Kaoru Toko, Takashi Suemasu","doi":"10.1016/j.apsusc.2025.164119","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164119","url":null,"abstract":"Barium disilicide (BaSi<sub>2</sub>) is one of the promising non-toxic and abundant materials for thin-film solar cells. However, defective n-type BaSi<sub>2</sub> layers hinder BaSi<sub>2</sub> homojunction solar cells from achieving higher conversion efficiencies. In recent years, <em>in situ</em> doping of arsenic (As) has been investigated to form n-type BaSi<sub>2</sub> layers. However, <em>a</em>-axis-oriented As-doped BaSi<sub>2</sub> epitaxial layers grown by molecular beam epitaxy (MBE) have a low electron concentration. The donor activation of As-doped BaSi<sub>2</sub> layers grown by MBE was then evaluated. The highest donor activation ratio in this study was found to be approximately 14%. To clarify the reason for this, we used first-principles calculations to evaluate the adsorption of As<sub>2</sub> used in the MBE growth on BaSi<sub>2</sub> (1 0 0) surface and the As-related defects in bulk BaSi<sub>2</sub>. The calculations reveal that adsorbed As<sub>2</sub> tend not to dissociate into singular As adatoms. Furthermore, the 2 As<sub>Si</sub> defect complex, which has the lowest formation energy compared to other As-related defects, was found to deactivate the donor based on its electronic structure. This study provides valuable insight into donor deactivation in As-doped BaSi<sub>2</sub> layers and serves as a starting point for future investigations on how to control it.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"99 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144677296","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}
引用次数: 0
Liquid metal printing of 2D IGZO films: Composition control via competitive oxidation and enhanced device performance 液态金属印刷二维IGZO薄膜:通过竞争性氧化控制成分和增强器件性能
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-07-21 DOI: 10.1016/j.apsusc.2025.164115
Jiaming Guo, Shanhao Ze, Junbiao Wu, Zhiguo Zhang, Cong Luo, Fei Li, Fei Liu, Jing Li, Baodan Liu
{"title":"Liquid metal printing of 2D IGZO films: Composition control via competitive oxidation and enhanced device performance","authors":"Jiaming Guo, Shanhao Ze, Junbiao Wu, Zhiguo Zhang, Cong Luo, Fei Li, Fei Liu, Jing Li, Baodan Liu","doi":"10.1016/j.apsusc.2025.164115","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164115","url":null,"abstract":"In this study, we innovatively fabricated 2D IGZO ultrathin films with several nanometers and tunable compositions using a liquid metal alloy printing method. We systematically studied the relationship between the composition of In-Ga-Zn liquid alloys and the composition of 2D IGZO films and clarified the possible doping mechanism. It was found that the surface film composition was primarily governed by the Gibbs free energy generated from oxide formation. Importantly, Zn and Ga possess a strong and similar competitive oxidation behavior in the oxidation process of liquid InZnGa alloy, leading to the segregation of Ga<sub>2</sub>O<sub>3</sub> and ZnO in the oxide skin of InZnGa alloy. In this case, we control the micro doping level of Zn and Ga to realize the composition tailoring of 2D IGZO films. Additionally, this study also reveals that increasing the Zn content in the film reduces the band gap width, increases channel current, and shows a trend where conductivity and carrier mobility increase. In contrast, the increases of Ga content results in an obvious decline of electrical performance for 2D IGZO films. This study demonstrates the superiority of liquid metal printing in the fabrication of two-dimensional materials and optoelectronic devices.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"14 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144677383","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}
引用次数: 0
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