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Electrospun natural product-based Shidu Formula for the management of psoriasis 以电纺天然产品为基础的牛皮癣石毒配方治疗
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-07-01 DOI: 10.1039/d5nr01873k
Ruodan Xu, Mengyuan Zhou, Yi Tang, Can Cao, Yanxin Jiang, Jing Li, Chen Wang, Xi Wu, Ping Song, Ning Li
{"title":"Electrospun natural product-based Shidu Formula for the management of psoriasis","authors":"Ruodan Xu, Mengyuan Zhou, Yi Tang, Can Cao, Yanxin Jiang, Jing Li, Chen Wang, Xi Wu, Ping Song, Ning Li","doi":"10.1039/d5nr01873k","DOIUrl":"https://doi.org/10.1039/d5nr01873k","url":null,"abstract":"The Shidu Formula (SDF) ointment is a natural product-based medicine that has a long history of use in treating psoriasis. Compared to standard first-line clinical medications, SDF remedies present certain advantages, particularly in terms of causing minimal skin irritations. However, several challenges have limited their widespread applications. These include the sticky nature of SDF ointments, which can hinder drug penetration and lead to staining of the skin and clothing, and delayed onset of effects that often necessitates higher dosages. Therefore, the development of innovative topical solutions is highly required to deliver the complex components of SDF effectively. In this study, we developed an amphiphilic blended membrane of polycaprolactone (PCL) and polyethylene oxide (PEO) using electrospinning, successfully transforming the SDF ointment into nanofibrous meshes. We confirmed that it was feasible to incorporate a maximum of 5% SDF through morphological, physiological, and pharmacological assessment. The release profile of the principal active components verified that berberine chloride and gallnut were released in bursts. <em>In vivo</em> experiments further demonstrated the benefits and biocompatibility of the SDF–PCL/PEO membrane in the management of IMQ-induced psoriasis-like skin inflammation, as demonstrated by severity index scoring and pathological evaluations. Notably, converting the ointment into nanofibrous meshes addressed the typical challenges associated with conventional SDF ointment, resulting in significantly improved efficacy, short application times, controllable dosages, and reduced staining of the skin and clothes. This work provides a promising approach for transforming complex natural products into effective external treatment options for psoriasis.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"2 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144521512","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Correction: Passive nanorheological tool to characterise hydrogels 纠正:被动纳米流变工具表征水凝胶
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-07-01 DOI: 10.1039/d5nr90126j
Moira Lorenzo Lopez, Victoria R. Kearns, Eann A. Patterson, Judith M. Curran
{"title":"Correction: Passive nanorheological tool to characterise hydrogels","authors":"Moira Lorenzo Lopez, Victoria R. Kearns, Eann A. Patterson, Judith M. Curran","doi":"10.1039/d5nr90126j","DOIUrl":"https://doi.org/10.1039/d5nr90126j","url":null,"abstract":"Correction for ‘Passive nanorheological tool to characterise hydrogels’ by Moira Lorenzo Lopez <em>et al.</em>, <em>Nanoscale</em>, 2025, https://doi.org/10.1039/d5nr00875a.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"19 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144521300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Dispersion of carbon nanotubes triggered by helical self-assembly of poly(methyl methacrylate) 聚甲基丙烯酸甲酯螺旋自组装引发碳纳米管分散
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-07-01 DOI: 10.1039/d5nr01706h
Ayaka Inoue, Kazuhiro Yoshida, Tsuyoshi Ando, Shuta Fukuura, Takashi Yumura, Hiroharu Ajiro, Tsuyoshi Kawai, Yoshiyuki Nonoguchi
{"title":"Dispersion of carbon nanotubes triggered by helical self-assembly of poly(methyl methacrylate)","authors":"Ayaka Inoue, Kazuhiro Yoshida, Tsuyoshi Ando, Shuta Fukuura, Takashi Yumura, Hiroharu Ajiro, Tsuyoshi Kawai, Yoshiyuki Nonoguchi","doi":"10.1039/d5nr01706h","DOIUrl":"https://doi.org/10.1039/d5nr01706h","url":null,"abstract":"Single-walled carbon nanotubes (SWCNTs) are promising nanofillers for various advanced materials, but their uniform dispersion in commodity plastics remains elusive due to solubility problems and poor miscibility. Here, we demonstrate that poly(methyl methacrylate) (PMMA) acts as an effective surfactant for the selective dispersion of small diameter SWCNTs under θ-solvent conditions. The solvent quality critically governs the formation of PMMA hierarchical helical structures, which enables efficient SWCNT encapsulation. Furthermore, we find that the stereoregularity of PMMA, in particular the syndiotacticity, controls the dispersion selectivity based on the nanotube diameter. The combination of experimental studies and DFT calculations reveals that the dynamic helical conformations of PMMA create nanoscale cavities that are conducive to the entrapment of SWCNTs. This work provides important insights into the design of polymer-nanotube hybrids and opens new avenues for the use of commodity plastics in advanced nanocomposites.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"36 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144521504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Unravelling Chemical Heterogeneity and Dual Emission Pathways in Graphene Quantum Dots via Single-Particle Infrared Spectroscopy 利用单粒子红外光谱研究石墨烯量子点的化学非均质性和双发射途径
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-07-01 DOI: 10.1039/d5nr01811k
SUBHRO KUNDU, ABU BAKAR SIDDIQUE, Irvin Fernando Guzmán González, Kevin Armando Rodríguez Mireles, Maritza Iveth Perez Valverde, Nicolás Antonio Ulloa-Castillo, Madhusoodanan Reghunathan, Domingo Ixcoatl Garcia-Gutierrez, Eduardo Martínez, Mallar Ray
{"title":"Unravelling Chemical Heterogeneity and Dual Emission Pathways in Graphene Quantum Dots via Single-Particle Infrared Spectroscopy","authors":"SUBHRO KUNDU, ABU BAKAR SIDDIQUE, Irvin Fernando Guzmán González, Kevin Armando Rodríguez Mireles, Maritza Iveth Perez Valverde, Nicolás Antonio Ulloa-Castillo, Madhusoodanan Reghunathan, Domingo Ixcoatl Garcia-Gutierrez, Eduardo Martínez, Mallar Ray","doi":"10.1039/d5nr01811k","DOIUrl":"https://doi.org/10.1039/d5nr01811k","url":null,"abstract":"Understanding the relationship between local chemical structure and photoluminescence (PL) in graphene quantum dots (GQDs) and nitrogen-functionalized GQDs (N-GQDs) is critical for their advancement in optoelectronics, sensing, and bioimaging. Ensemble measurements mask the structural and functional heterogeneity intrinsic with these quasi-zero-dimensional systems. Here, we employ single-particle photo-induced force microscopy (PiFM) to chemically map individual GQDs and N-GQDs, revealing diverse surface functional groups and bonding architectures that are obscured in bulk analyses. PiF-IR spectra correlate well with vibrational modes predicted by density functional theory (DFT) on model structures incorporating oxygen and nitrogen functionalities. While ensemble characterizations such as Raman spectroscopy, X-ray diffraction, and X-ray photoelectron spectroscopy support the findings of single-particle analysis, the latter offers significantly superior spatial and chemical resolution. Optical features of the GQDs and the NGQDs show size and chemical structure-dependent behaviour such as excitation-dependent emission thresholds and biexponential decay dynamics. These observations support a dual recombination mechanism involving band-edge-to-band-edge transitions and surface / dopant-mediated transition pathways. By integrating these methods, we establish a robust framework for connecting structure to optical behaviour highlighting the importance of single-particle studies for rational design of carbon-based quantum materials.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"12 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144521508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Gradient CNT/PMN-PT/PVDF Piezoelectric Composites for Gait Monitoring during Weight-Bearing Walking 梯度CNT/PMN-PT/PVDF压电复合材料在负重行走中的步态监测
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-07-01 DOI: 10.1039/d5nr02020d
Weili Deng, Tingting Zhou, Wanghong Zeng, Zihan Wang, Yiheng Liu, Boling Lan, Shenglong Wang, Yong Ao, Yue Sun, Shuai Wang, Zhaoyu Li, Long Jin, Weiqing Yang
{"title":"Gradient CNT/PMN-PT/PVDF Piezoelectric Composites for Gait Monitoring during Weight-Bearing Walking","authors":"Weili Deng, Tingting Zhou, Wanghong Zeng, Zihan Wang, Yiheng Liu, Boling Lan, Shenglong Wang, Yong Ao, Yue Sun, Shuai Wang, Zhaoyu Li, Long Jin, Weiqing Yang","doi":"10.1039/d5nr02020d","DOIUrl":"https://doi.org/10.1039/d5nr02020d","url":null,"abstract":"Wearable piezoelectric sensors have gained significant attention for real-time biomechanical monitoring, yet existing designs often face limitations in sensitivity, durability, and dynamic response. To address these challenges, we develop a wearable sensor utilizing gradient-architected CNT/PMN-PT/PVDF piezoelectric composites for continuous gait monitoring during weight-bearing walking. The sensor features a dual-filler gradient configuration within the poly(vinylidene fluoride) (PVDF) matrix, where strategically distributed carbon nanotubes (CNTs) and lead magnesium niobate-lead titanate (PMN-PT) ceramic particles synergistically enhance electromechanical coupling efficiency. The CNTs-enriched surface layer boosts polarization by facilitating charge injection efficiency, while the gradient-arranged PMN-PT fillers induce stress concentration, further amplifying the piezoelectric output. As a result, the sensor exhibits exceptional performance, with a decent piezoelectric coefficient (d33* = 40 pm/V) and high sensitivity (172 mV/N). Both experimental tests and finite element simulations validate the superior performance of this gradient structure, making it highly effective for real-time kinematic monitoring during weight-bearing walking. This composite-based sensor represents a promising advancement in wearable health technology, with immediate applications in clinical gait analysis, rehabilitation monitoring and sports injury prevention.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"13 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144521509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Upconversion Nanohybrids for NIR-Induced Photorepair of DNA Etheno Adducts nir诱导DNA乙二烯加合物光修复的上转换纳米杂化体
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-30 DOI: 10.1039/d5nr01777g
Laura Frances-Soriano, Gemma Maria M. Rodríguez, Paloma Lizondo-Aranda, Delia Bellezza, María González-Béjar, Virginie Lhiaubet-Vallet
{"title":"Upconversion Nanohybrids for NIR-Induced Photorepair of DNA Etheno Adducts","authors":"Laura Frances-Soriano, Gemma Maria M. Rodríguez, Paloma Lizondo-Aranda, Delia Bellezza, María González-Béjar, Virginie Lhiaubet-Vallet","doi":"10.1039/d5nr01777g","DOIUrl":"https://doi.org/10.1039/d5nr01777g","url":null,"abstract":"Here, we report NIR-triggered photorepair of DNA damages via photosensitization by using well-known upconversion nanohybrids consisting of ytterbium and erbium co-doped core-shell upconversion nanoparticles (UCs) and Rose Bengal (UC@RB). Specifically, two purine-derived etheno adducts (1,N<small><sup>6</sup></small>-etheno-2’-deoxyadenosine (εdA) and 1,N<small><sup>2</sup></small>-etheno-2’-deoxyguanosine (εdG)) have been used as proof of concept.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"67 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
ZnO Quantum Dots as an Electron-Transport Layer for Highly Efficient and Stable Organic Solar Cells ZnO量子点作为高效稳定有机太阳能电池的电子传输层
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-30 DOI: 10.1039/d5nr01722j
Abdus Saboor, Oleksandr L. Stroyuk, Oleksandra Raievska, Chao Liu, Jens Hauch, Christoph J Brabec
{"title":"ZnO Quantum Dots as an Electron-Transport Layer for Highly Efficient and Stable Organic Solar Cells","authors":"Abdus Saboor, Oleksandr L. Stroyuk, Oleksandra Raievska, Chao Liu, Jens Hauch, Christoph J Brabec","doi":"10.1039/d5nr01722j","DOIUrl":"https://doi.org/10.1039/d5nr01722j","url":null,"abstract":"An advanced protocol for the mild synthesis of stable and concentrated ZnO quantum dots (QDs) yields colloidal inks suitable for applications in electron-transport layers (ETLs) of organic solar cells, delivering superior power conversion efficiency (PCE) and photodegradation stability as compared to bulk-like commercially available ZnO inks. The champion ZnO QDs-based devices with a quaternary PM6:L8BO:BTP-eC9:PC70BM absorber exhibit a PCE of 18.86%, surpassing similar cells with bulk-like ZnO ETL (18.15%). The ZnO QDs exhibited size-dependent electron-transport efficiency, with the highest performance achieved for QDs of 4.4-4.5 nm, decreasing for larger QDs down to the level of the bulk-like ZnO reference. A correlation between the photoluminescence and electron-transport efficiencies of ZnO quantum dots (QDs) was observed and interpreted in terms of an interplay between the defect state density and exciton confinement in size-selected ZnO QDs.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"271 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515485","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Tunable resonant Raman scattering with temperature in vertically aligned 2H-SnS2 垂直排列2H-SnS2中随温度变化的可调谐共振拉曼散射
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-30 DOI: 10.1039/d5nr01717c
Atul Gangaram Chakkar, Deepu Kumar, Ashok Kumar, Mahesh Kumar, Pradeep Kumar
{"title":"Tunable resonant Raman scattering with temperature in vertically aligned 2H-SnS2","authors":"Atul Gangaram Chakkar, Deepu Kumar, Ashok Kumar, Mahesh Kumar, Pradeep Kumar","doi":"10.1039/d5nr01717c","DOIUrl":"https://doi.org/10.1039/d5nr01717c","url":null,"abstract":"Two-dimensional semiconducting materials have a wide range of applications in various fields due to their excellent properties and rich physics. Here, we report a detailed investigation of the temperature dependent Raman and Photoluminescence measurements on the vertically aligned 2H-SnS2 grown by CVD method. Our results established the tunability of the resonant Raman scattering with varying temperature, i.e. a crossover between resonance and non-resonance conditions for the current system. We also discussed the temperature as well as laser power dependence of the low frequency asymmetric Raman mode which is interlayer shear mode. Temperature dependence of the intensity of the phonon modes also manifests the tunability of the resonant Raman scattering with temperature. Our temperature dependent Photoluminescence measurement shows the strong temperature dependence of the excitonic peaks which is confirmed with laser power dependance of the Photoluminescence measurement at room temperature. Our investigation may help to design and fabricate devices based on vertically aligned 2H-SnS2 and other similar materials in future.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"10 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515486","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Room-Temperature Solution-Processed Spin Organic Light-Emitting Diodes Based on Chiral 2D Halide Perovskites 基于手性二维卤化物钙钛矿的室温溶液处理自旋有机发光二极管
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-30 DOI: 10.1039/d5nr01117e
Lan-Sheng Yang, Chun-Yao Huang, Chin-An Hsu, Hao-Zhe Chiu, Pei-Hsuan Lo, Yu-Chiang Chao
{"title":"Room-Temperature Solution-Processed Spin Organic Light-Emitting Diodes Based on Chiral 2D Halide Perovskites","authors":"Lan-Sheng Yang, Chun-Yao Huang, Chin-An Hsu, Hao-Zhe Chiu, Pei-Hsuan Lo, Yu-Chiang Chao","doi":"10.1039/d5nr01117e","DOIUrl":"https://doi.org/10.1039/d5nr01117e","url":null,"abstract":"Chiral R-/S-methylbenzylamine (R-/S-MBA) was used as cation to form chiral 2D perovskites with different stoichiometric ratios ⟨n⟩ and halide compositions. The chiroptical properties of chiral perovskites, as well as their application in chiral spintronics, were investigated. The chemical composition and chiroptical properties of these materials were investigated by X-ray diffraction, circular dichroism (CD), magnetic CD (MCD), circularly polarized luminescence (CPL) and magnetic CPL (MCPL). Large Stokes shifts were observed when the halide composition of perovskite films with ⟨n⟩ = 1 was changed from iodide-rich to bromide-rich. Furthermore, circularly polarized electroluminescence was observed at room temperature in the absence of an external magnetic field. The degree of spin current polarization of 2D chiral perovskites reaches 86%. In terms of applications of spin device applications, spin organic light-emitting diodes were realized by using chiral 2D perovskite films with different halide compositions as the spin filters and using a polymer called Super Yellow as the emissive layer. The halide composition of the spin filter does not affect the emission wavelength of the device. A maximum gCP-EL of 1 × 10−2 was obtained. The chiroptical properties of chiral halide perovskites demonstrated in this work are useful for chiroptoelectronics and chiral spintronics.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"62 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Electronic and structural coupling of pentacene on NiO(001) 并五苯在NiO(001)上的电子和结构耦合
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-30 DOI: 10.1039/d5nr00700c
Jonah Elias Nitschke, David Maximilian Janas, Stefano Ponzoni, Michele Capra, Elena Molteni, Andrea Picone, Alessio Giampietri, Alessandro Ferretti, Shuangying Ma, Alberto Brambilla, Giovanni Zamborlini, Guido Fratesi, Mirko Cinchetti
{"title":"Electronic and structural coupling of pentacene on NiO(001)","authors":"Jonah Elias Nitschke, David Maximilian Janas, Stefano Ponzoni, Michele Capra, Elena Molteni, Andrea Picone, Alessio Giampietri, Alessandro Ferretti, Shuangying Ma, Alberto Brambilla, Giovanni Zamborlini, Guido Fratesi, Mirko Cinchetti","doi":"10.1039/d5nr00700c","DOIUrl":"https://doi.org/10.1039/d5nr00700c","url":null,"abstract":"Transition-metal oxides (TMOs) are pivotal in modern applications, with recent years seeing intensified research into their interplay with molecular layers as well as the potential of antiferromagnetic TMOs in spintronic applications. In this work we combine both approaches and investigate the adsorption of pentacene on the (001) surface of NiO. By employing a variety of methods such as scanning tunneling microscopy, low energy electron diffraction, angle-resolved photoelectron spectroscopy and density functional theory, we extract the geometrical arrangement of the molecules and their energy level-alignment. Induced by the substrate–molecule interaction, pentacene forms a self-assembled monolayer in a superstructure commensurate with the NiO substrate. Through photoemission orbital tomography, we identify the first three highest occupied molecular orbitals (HOMO, HOMO−1 and HOMO−2) in the photoemission spectra of the NiO/pentacene interface. The absence of the lowest unoccupied molecular orbital (LUMO) suggests negligible charge transfer at the interface, a finding supported by calculations. Nevertheless, we can observe an induced degeneracy of the HOMO−1 and HOMO−2 orbitals as well as an accumulation of molecular electron density toward the substrate. This preservation of the molecules free electron character of frontier orbitals points to potential applications in the optical control of THz spin dynamics in antiferromagnetic NiO, opening a promising pathway for engineering molecule-based functionalization of antiferromagnetic surfaces.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"655 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144521510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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