Bo Wang , Wenxu Zhang , Wei Li, Huiyang Xu, Yongyi Li, Shuanglong Li, Xiaorui Huang, Shichao Jiao, Di Lin, Huixiang Yan
{"title":"Efficient photocatalytic hydrogen evolution: synergistic triple heterojunctions based on ZnIn2S4, Co3O4 and SiC@g-C3N5","authors":"Bo Wang , Wenxu Zhang , Wei Li, Huiyang Xu, Yongyi Li, Shuanglong Li, Xiaorui Huang, Shichao Jiao, Di Lin, Huixiang Yan","doi":"10.1016/j.surfin.2025.106950","DOIUrl":"10.1016/j.surfin.2025.106950","url":null,"abstract":"<div><div>The production of hydrogen through photocatalytic technology has become a very attractive way to alleviate the problem of environmental pollution. In this work, A ZnIn<sub>2</sub>S<sub>4<img></sub>Co<sub>3</sub>O<sub>4</sub>-(SiC@g-C<sub>3</sub>N<sub>5</sub>) triple heterojunctions structure was constructed. In this structure, a P-N heterojunction is formed by Co<sub>3</sub>O<sub>4</sub> with ZIS, a Z-type heterojunction is constructed by ZIS with CN5, and a II-type heterojunction is formed by CN5 with SiC. The three are synergistically used to optimize the carrier migration path. Under this synergistic mechanism, Co<sub>3</sub>O<sub>4</sub> increases the concentration of photogenerated electrons in the ZIS conduction band. It allows the photogenerated electrons to participate in the H⁺ reduction hydrogen generation reaction. Meanwhile, SiC facilitates further electron enrichment in the CN5 conduction band via the type - II heterojunction.SiC also boosts carrier migration efficiency through the Z - type pathway. In the ZnIn<sub>2</sub>S<sub>4</sub> - Co<sub>3</sub>O<sub>4</sub>-(SiC@g - C<sub>3</sub>N<sub>5</sub>) system, the consumption rate of useless photogenerated electron - hole pairs per unit time is much higher than that in the ZIS - CN5 system with only one Z - type heterojunction. The number of photogenerated electrons on ZIS in the ZnIn<sub>2</sub>S<sub>4</sub> - Co<sub>3</sub>O<sub>4</sub>-(SiC@g - C<sub>3</sub>N<sub>5</sub>) system is much higher than that in the ZIS - CN5 system. This greatly reduces the probability of the system's photogenerated carrier complexation. It also increases the charge separation efficiency. As a result, the photocatalytic efficiency is significantly improved. 20ZIS-Co-(SiC@CN5) composites exhibited efficient hydrogen production (13655μmol·g<sup>-1</sup>-h<sup>-1</sup>) in hydrogen production experiments. The ZIS - Co - (SiC@CN5) composites enable efficient separation and directional migration of photogenerated carriers via the collaborative action of the multilevel heterojunction. This action offers a scalable concept for designing highly efficient and stable photocatalysts for hydrogen production.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"71 ","pages":"Article 106950"},"PeriodicalIF":5.7,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144306903","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}
Jemal M. Yassin , Abi M. Taddesse , Manuel Sánchez-Sánchez
{"title":"Novel UiO-66(Ce)/CdS/g-C3N4 ternary nanocomposite with boosted photoactivity in the degradation of the dye rhodamine B","authors":"Jemal M. Yassin , Abi M. Taddesse , Manuel Sánchez-Sánchez","doi":"10.1016/j.surfin.2025.106945","DOIUrl":"10.1016/j.surfin.2025.106945","url":null,"abstract":"<div><div>Metal-Organic Frameworks (MOFs) are a category of porous material recognized for their tuneable structures and high surface areas, making them promising candidates for various applications, including photocatalysis. Among these, UiO-66(Ce) has attracted significant attention from the scientific community due to its impressive redox capabilities, effective ligand-to-metal charge transfer, and effecient charge-hole separation. This study reports the successful synthesis of novel ternary nanocomposite that combined UiO-66(Ce) with CdS and g-C<sub>3</sub>N<sub>4</sub>. The physicochemical characterization was addressed using XRD, XPS, FE-SEM-EDS, EDS mapping, FTIR, TGA, N<sub>2</sub> adsorption-desorption isotherms, PL and DRS-UV–vis techniques. These studies confirm the effective formation of heterojunction nanocomposite materials. The ternary nanocomposites were evaluated as photocatalysts in the degradation of the dye rhodamine B, achieving degradation rates of 97.5 % and 99.5 % within 120 min under visible light and sunlight systems, respectively. These rates significantly surpassed the photocatalytic performance of the individual components and their binary combinations. The results highlight significant synergistic effects within the heterostructures, enhancing the transfer of charges across interfaces and bettering the separation of light-generated electron-hole pairs. The produced active intermediates, including hydroxyl radicals (<sup>•</sup>OH), superoxide anions (<sup>•</sup>O<sub>2</sub><sup>-</sup>), and holes (<em>h</em><sup>+</sup>), exhibited nearly equivalent quenching effects. Furthermore, the synthesized ternary nanocomposite demonstrated remarkable stability and recyclability, maintaining considerable performance over at least five cycles. A potential reaction mechanism for the photocatalytic process has also been suggested.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"72 ","pages":"Article 106945"},"PeriodicalIF":5.7,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144322262","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}
Chongyang Wang , Shuang Shan , Zhen Li , Junpeng Wang , Xinjie Wu , Qiao Wang , Fuyi Chen
{"title":"Surface strain, oxidation effect, and reconstruction of spherical and faceted Ag and Pd nanoparticles","authors":"Chongyang Wang , Shuang Shan , Zhen Li , Junpeng Wang , Xinjie Wu , Qiao Wang , Fuyi Chen","doi":"10.1016/j.surfin.2025.106936","DOIUrl":"10.1016/j.surfin.2025.106936","url":null,"abstract":"<div><div>Surface strain plays a crucial role in enhancing the performance of nanocatalysts. In this work, the distribution of atomic strain and stress in three different structures (bulk, surface, and nanoparticle) of Ag and Pd was investigated. The atomic strain and stress in bulk structures approach 0 %, while the first atomic layer of surface structures exhibits a significant tensile state. For faceted nanoparticles, the compressive strain is localized along the edges and vertices of the surface, as well as in the inner core region, while tensile strain is observed on the surface facet. The Laplace pressure experienced by spherical nanoparticles of different sizes increases with decreasing radius, induces compressive atomic strain and stress both on the surface and within the interior of nanoparticles. After oxidation, tensile atomic strain and stress are induced in the oxidized surface regions, with the magnitudes increasing proportionally to the oxidation degree. We also developed an energy-dependence diagram for the structural reconstruction of faceted nanoparticles, revealing that the process is driven by surface reconstruction and atomic strain, with a strong dependence on both energy and temperature. These founds in this contribution provide a theoretical basis and insight for the future design of noble metal nanocatalysts.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"72 ","pages":"Article 106936"},"PeriodicalIF":5.7,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144308145","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}
Zichen Wang , Dashuai Mao , Yifan Yu , Hang Li , Yonggan Yan , Wei Zhang , Junjie Lu , Shaofeng Xu , Junqin Shi
{"title":"Towards Water-based superlubricity by charged graphene surface in the boundary lubrication regime","authors":"Zichen Wang , Dashuai Mao , Yifan Yu , Hang Li , Yonggan Yan , Wei Zhang , Junjie Lu , Shaofeng Xu , Junqin Shi","doi":"10.1016/j.surfin.2025.106957","DOIUrl":"10.1016/j.surfin.2025.106957","url":null,"abstract":"<div><div>A new model of graphene friction pair consisting of charged and uncharged surfaces was proposed to achieve water-based superlubricity in the boundary lubrication regime, and molecular dynamics (MD) simulations were performed to reveal superlubricity mechanisms. It is found that the new model of graphene friction pair can significantly reduce the friction coefficient by two orders of magnitude to 10e-3 and thus achieves superlubricity for water as a lubricant. The existence of slip plane between the uncharged graphene substrate and water molecules due to the disappearance of π-H bonds contributes low friction. In addition, fluidity of hydration layers induced by the charged graphene and low energy dissipation due to hydrogen bonding forces also contribute superlubricity. An optimal value of surface charge exists for achieving superlubricity with the minimum friction coefficient. Effects of ion concentration (NaCl) on superlubrication were also studied. The friction coefficient decreases with the increase of ion concentration. The electrostatic force induced by the charged graphene and salt solution can form a state of electrostatic suspension under a large normal load, and the smooth hydration layer can result in a smaller energy barrier to reducing friction. The current study provides a new vision for hydrated boundary superlubrication.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"72 ","pages":"Article 106957"},"PeriodicalIF":5.7,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144322259","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}
Ruoting Sun , Hao Xu , Xiyao He , Xiangyu Xu , Song Du , Kelvin Hongliang Zhang , Hao Long
{"title":"Current mechanism and interface states in Ga2O3 MSM solar-blind photodetector","authors":"Ruoting Sun , Hao Xu , Xiyao He , Xiangyu Xu , Song Du , Kelvin Hongliang Zhang , Hao Long","doi":"10.1016/j.surfin.2025.106949","DOIUrl":"10.1016/j.surfin.2025.106949","url":null,"abstract":"<div><div>The β-Ga<sub>2</sub>O<sub>3</sub> metal-semiconductor-metal (MSM) solar-blind photodetectors (PDs) have been widely reported due to their simple preparation and low dark current, and have presented significant potential in the field of UVC photodetection under severe temperature environments. The properties of Ga<sub>2</sub>O<sub>3</sub> MSM-PDs were closely related to the interfacial traps. However, the carrier mechanism, the role of interfacial traps and the transient process between dark and UV irradiation have not been fully revealed. In this work, the temperature-dependent <em>I</em>-<em>V</em> and <em>I</em>-<em>t</em> curves, and frequency-dependent <em>C</em>-<em>V</em> curves were utilized to investigate the intrinsic carrier transport mechanism. It was found that the reverse dark current was dominated by Poole-Frenkel (PF) emission with trap depth of 0.58 eV at Metal/Semiconductor interface, whose density increased and capture/emission time decreased with temperature. Under UVC light illumination, thermionic emission (TE) with Gaussian distribution of inhomogeneous Schottky barrier height (SBH) dominated the carrier transportation process. The elevation of effective SBH declined photocurrent at high temperatures. The capture and emission of carriers in traps determined the switching between TE and PF mechanisms upon the UVC illumination ON and OFF. Our work provides a fundamental current mechanism for better understanding Ga<sub>2</sub>O<sub>3</sub>-based MSM PDs.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"72 ","pages":"Article 106949"},"PeriodicalIF":5.7,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144322260","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}
Quang Huy Tran , Thi Theu Luong , Thi Hai Yen Nguyen , Thi Nhan Tran , Viet Bac T. Phung , Van An Dinh
{"title":"Adsorption mechanisms of ethanol, propanal, butanone, and benzene on the monolayer WS₂ Surface: Insights from non-local van der Waals density functional theory","authors":"Quang Huy Tran , Thi Theu Luong , Thi Hai Yen Nguyen , Thi Nhan Tran , Viet Bac T. Phung , Van An Dinh","doi":"10.1016/j.surfin.2025.106931","DOIUrl":"10.1016/j.surfin.2025.106931","url":null,"abstract":"<div><div>This study examines the adsorption mechanisms of ethanol, propanal, butanone, and benzene, which represent four typical functional groups-alcohol, aldehyde, ketone, and aromatic-on the monolayer WS<sub>2</sub> surface using the non-local van der Waals density functional theory. The results indicate that all four gases exhibit physical adsorption on the WS₂ surface. The adsorption is primarily governed by van der Waals interactions between the gas molecules and the WS₂ substrate. Among the studied gases, butanone demonstrates the highest charge transfer (0.36 e) due to the strong polarity of the ketone functional group (-<em>C</em> = <em>O</em>). This significant charge transfer not only enhances the interaction between the gas and the WS₂ substrate but also improves the sensor's sensitivity by inducing pronounced changes in the electronic properties of WS₂. Benzene, an aromatic compound, exhibits the highest adsorption energy (637 meV), reflecting the strong π-π interactions between its aromatic ring and the WS₂ surface. This makes benzene the most stable adsorbate among the gases studied, highlighting its potential for detecting aromatic compounds in sensor applications. The results could provide new prospects for the use of WS<sub>2</sub> in high-performance sensing devices.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"72 ","pages":"Article 106931"},"PeriodicalIF":5.7,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144308044","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}
Michael Escobar , Adam Benedict Turner , Jordi Sort , Carme Nogués , Eva Pellicer , Andreu Blanquer , Margarita Trobos
{"title":"Cytocompatibility and antimicrobial properties of silver nanoparticle-decorated hydroxyapatite-coated TiMoNbTa alloy","authors":"Michael Escobar , Adam Benedict Turner , Jordi Sort , Carme Nogués , Eva Pellicer , Andreu Blanquer , Margarita Trobos","doi":"10.1016/j.surfin.2025.106934","DOIUrl":"10.1016/j.surfin.2025.106934","url":null,"abstract":"<div><div>Titanium and its alloys are widely used for implants, although they have limitations like higher elastic modulus compared to bone, causing stress shielding and potential implant failure. To address these issues, β-Ti alloys and calcium phosphate coatings are being developed to improve the mechanical properties while enhancing bone integration. The risk of infection is another important limitation that can be addressed through the deposition of antibacterial and antibiofilm coatings on the alloys. Here, we present a β-Ti alloy (Ti-18Mo-6Nb-5Ta (wt %)) coated with calcium-deficient hydroxyapatite (CDHA) and decorated with silver nanoparticles intended to be used as antimicrobial orthopedic implants. The experiments revealed that human osteoblasts were able to adhere and proliferate on coating. The presence of silver nanoparticles did not adversely affect human osteoblast differentiation and led to a 50 % increase in type I collagen production. The coating decorated with silver nanoparticles exhibited a significant antibacterial effect against <em>Staphylococcus aureus</em>, reducing biofilm formation by over 40 % after 24 h compared to the undecorated coating. Taken together, these results show the effectiveness of the silver decorated CDHA coating in enhancing osteoblasts proliferation and differentiation while also reducing biofilm growth when compared to CDHA coating.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"72 ","pages":"Article 106934"},"PeriodicalIF":5.7,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144331218","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}
Palwasha Jalalzai , Sumit Kumar , Ranjith Punathil Meethal , Kwang-Min Han , Andreas Klipp , Tae-Gon Kim , Jin-Goo Park
{"title":"Metal ion contamination and removal on oxide surfaces and polyvinyl acetal brushes during the tungsten post-CMP cleaning process","authors":"Palwasha Jalalzai , Sumit Kumar , Ranjith Punathil Meethal , Kwang-Min Han , Andreas Klipp , Tae-Gon Kim , Jin-Goo Park","doi":"10.1016/j.surfin.2025.106939","DOIUrl":"10.1016/j.surfin.2025.106939","url":null,"abstract":"<div><div>Metal contamination by titanium (Ti) and tungsten (W) ions on tetraethyl orthosilicate (TEOS) surfaces poses a critical challenge in post-chemical mechanical planarization (CMP) cleaning processes. This study investigates the effectiveness of chelating agents such as citric acid and EDTA in combination with mechanical scrubbing using a polyvinyl acetal (PVA) brush for removing Ti and W ions from TEOS surface. Dipping in chelating agents alone showed limited Ti removal, but when incorporated with PVA brush scrubbing at a -2 mm gap, Ti removal efficiency increased significantly from 30 % to 99 % at pH 4. Citric acid demonstrated superior performance over EDTA due to its ability to hydrolyze Si–O–Ti bonds and form stable Ti–citrate complexes. X-ray photoelectron spectroscopy (XPS) confirmed that Ti forms more stable and difficult-to-remove Si–O–Ti bonds on TEOS, the mechanical action of the brush effectively removed these complexes. Additionally, Ti ions were found to enhance silica particle loading onto the PVA brush through electrostatic interactions, as supported by zeta potential measurements and field emission scanning electron microscopy (FE-SEM). Chelating agents proved to be efficient in reducing particle loading in presence of Ti ions. These results highlight the synergistic role of chemical chelation and mechanical force in efficient Ti ion removal and emphasize the importance of chelating agent selection in optimizing post-CMP cleaning performance.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"72 ","pages":"Article 106939"},"PeriodicalIF":5.7,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144313259","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}
Hang Luo , Shenghui Guo , Xiaolei Ye , Li Yang , Ming Hou , Yunchuan Li , Zhiguang Hua
{"title":"Defects and interface induced polarization due to morphology regulation based on the synthesis of Zn@Co-ZIFs in different systems to modulate electromagnetic wave absorption performance","authors":"Hang Luo , Shenghui Guo , Xiaolei Ye , Li Yang , Ming Hou , Yunchuan Li , Zhiguang Hua","doi":"10.1016/j.surfin.2025.106938","DOIUrl":"10.1016/j.surfin.2025.106938","url":null,"abstract":"<div><div>Designing the composition and structure of bi-metal hybrids is an available way to regulating the electromagnetic properties. Metal-organic framework (MOFs) materials have attracted profuse attention due to their low density and adjustable structure. Among all MOFs, zeolitic imidazolate framework (ZIFs) is an excellent precursor with diverse morphologies and various structures. This provides great structural designability. In this work, a Zn/Co bi-metal hybrid based on ZIF-8 and ZIF-67 templates was constructed via a novel approach. Solvent environment changing led to changes in morphology and structure. Thus the derivatives exhibited interesting electromagnetic wave (EMW) absorbing properties. In methanol-water mixing ambient solvents of different volume ratio, the Zn@Co-ZIFs present completely different morphologies and topological structures. The corresponding pyrolysis products ZnO/NC@Co/NCs (ZCNCs) inherited the morphologies of precursors and displayed great difference in EMW absorbing properties as a result of variant defects. The ZCNC originated from mixture where methanol volume ratio counted 75 % exhibited the best absorption performance: the minimum reflection loss (RL<sub>min</sub>) was -48.29 dB, and the effective absorption bandwidth (EAB) was 4.51 GHz (from 10.90 GHz ∼ 15.41 GHz). Besides, ZCNC originated from mixture where methanol occupied 25 % of total volume displayed dual-band absorption at 3.6 mm. This work provides a novel perspective for the design of efficient EMW absorbing materials.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"72 ","pages":"Article 106938"},"PeriodicalIF":5.7,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144481533","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}
Rongrong Chen, Jin Gao, Lei Yang, Chenglong Jia, Desheng Xue, Kun Tao
{"title":"Investigation of magnetoelectric coupling effects in DMX-adsorbed graphene under external electric field modulation","authors":"Rongrong Chen, Jin Gao, Lei Yang, Chenglong Jia, Desheng Xue, Kun Tao","doi":"10.1016/j.surfin.2025.106837","DOIUrl":"10.1016/j.surfin.2025.106837","url":null,"abstract":"<div><div>The integration of graphene with conventional semiconductor technologies is hindered by its zero bandgap semiconductor nature. To address this, we explore the electronic and magnetic properties of graphene modified by the adsorption of DMX (5-dehydro-m-xylylene), a ferrimagnetic molecule and the influence of external electric fields. Using density functional theory (DFT), we demonstrate that the interaction between DMX and graphene can form two-dimensional magnetic semiconductors with tunable electronic and magnetic properties. The application of an external electric field further enhances control over electronic properties, leading to the emergence of band inversion and other novel phenomena. The study demonstrates that the adsorption of DMX onto graphene not only induces weak magnetism but also offers substantial evidence for understanding the fundamental mechanisms of magnetoelectric coupling effects. This research has significant implications for the development of future electronic devices and quantum computing platforms.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"71 ","pages":"Article 106837"},"PeriodicalIF":5.7,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144279936","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}