ACS Nano最新文献_第4页

Contact Physics in 2D Nanoelectronics: Comparative Study of Type-II Weyl and Dirac Semimetals. 二维纳米电子学中的接触物理：ii型Weyl和Dirac半金属的比较研究。

IF 17.1 1区材料科学

ACS Nano Pub Date : 2025-10-22 DOI: 10.1021/acsnano.5c09640

Juwon Han,Hyeonwoo Lee,Youseung Lee,Taehyun Kim,Seokyeon Shin,Youngjoon Lee,Soon-Yong Kwon,Changwook Jeong

{"title":"Contact Physics in 2D Nanoelectronics: Comparative Study of Type-II Weyl and Dirac Semimetals.","authors":"Juwon Han,Hyeonwoo Lee,Youseung Lee,Taehyun Kim,Seokyeon Shin,Youngjoon Lee,Soon-Yong Kwon,Changwook Jeong","doi":"10.1021/acsnano.5c09640","DOIUrl":"https://doi.org/10.1021/acsnano.5c09640","url":null,"abstract":"The demand for low contact resistance in two-dimensional (2D) nanoelectronics has positioned semimetals as ideal contact materials, owing to their ability to minimize the formation of metal-induced gap states (MIGS). While the contact physics of Dirac semimetals is well understood, type-II Weyl (i.e., Weyl-II) semimetals remain largely unexplored, despite their unique potential for achieving defect-free nanoscale devices. Here, using density functional theory (DFT), we elucidate the interfacial physics of MoS2-Weyl-II semimetal junctions and conduct a comparative analysis with Dirac semimetals. Crucially, we identify a downward extension of the conduction band minimum (CBM) in MoS2, originating from contact-induced interfacial states. This phenomenon is closely tied to the rectangular Brillouin zone of Weyl-II semimetals, which─unlike the 3-fold symmetry of MoS2 and Dirac semimetals─renders orbital hybridization in MoS2-Weyl-II systems highly sensitive to contact angles. By introducing a modified Schottky-Mott rule that accounts for vacuum level shifts, CBM extensions, and orbital interactions, we significantly improve conventional Schottky barrier height predictions. This approach effectively resolves longstanding theoretical-experimental discrepancies, providing a robust framework to properly design and optimize 2D contacts in next-generation logic devices.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"108 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145339056","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Optically Induced Irreversible Ferroelastic and Ferroelectric Switching in Epitaxial BaTiO3 Films on Silicon. 硅外延BaTiO3薄膜的光诱导不可逆铁弹性和铁电开关。

IF 17.1 1区材料科学

ACS Nano Pub Date : 2025-10-22 DOI: 10.1021/acsnano.5c05309

Ibukun Olaniyan,Alfredo Blázquez Martínez,Valentin Väinö Hevelke,Sven Wiesner,Rong Wu,Thanh Luan Phan,Robin Cours,Nikolay Cherkashin,Sylvie Schamm-Chardon,Dong-Jik Kim,Catherine Dubourdieu

{"title":"Optically Induced Irreversible Ferroelastic and Ferroelectric Switching in Epitaxial BaTiO3 Films on Silicon.","authors":"Ibukun Olaniyan,Alfredo Blázquez Martínez,Valentin Väinö Hevelke,Sven Wiesner,Rong Wu,Thanh Luan Phan,Robin Cours,Nikolay Cherkashin,Sylvie Schamm-Chardon,Dong-Jik Kim,Catherine Dubourdieu","doi":"10.1021/acsnano.5c05309","DOIUrl":"https://doi.org/10.1021/acsnano.5c05309","url":null,"abstract":"Optical manipulation of ferroelectric polarization is a promising method for potentially ultrafast and remote polarization switching without electrodes. Here, we report optical ferroelastic and ferroelectric switching by UV irradiation in epitaxial BaTiO3 thin films grown on a SrTiO3-buffered Si substrate. The pristine BaTiO3 film is in the tetragonal ferroelectric phase with both in-plane and out-of-plane ferroelectric polarization. After irradiation by a 325 nm UV laser, the polarization is mainly out-of-plane indicating ferroelastic switching. Moreover, all initial downward polarized domains have switched to upward, thus showing ferroelectric 180°-domain switching. After irradiation the film exhibits mainly a single up-oriented polarization and as a result, the irradiated regions exhibit an enhanced piezoelectric response. We propose that the observed ferroelastic and ferroelectric switching is triggered by additional strain/stress fields generated by internal electric fields arising mainly from the spatial charge carrier separation after photoexcitation. These strain/stress fields add up to the Vegard strain field and to local heating, which induce defect motion and a final state with full strain relaxation. This optical switching enables remote manipulation of ferroelastic and ferroelectric domains in BaTiO3 films on silicon. Moreover, UV illumination appears as a potential postdeposition treatment to heal defects and obtain a strain-free epitaxial layer.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"42 3 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145339128","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Aggregation-Induced Emission-Based Nanoparticles for Synergistic Photothermal Antibacterial Therapy and Anti-Inflammatory Regulation in Periodontal Infections. 基于聚集诱导发射的纳米颗粒在牙周感染中的协同光热抗菌治疗和抗炎调节。

IF 17.1 1区材料科学

ACS Nano Pub Date : 2025-10-22 DOI: 10.1021/acsnano.5c08054

Shu Lou,Zhurun Fang,Guogang Shan,Yiting Gao,Dingyuan Yan,Qifeng Li,Dong Wang,Ming Zhang,Yan Xu

{"title":"Aggregation-Induced Emission-Based Nanoparticles for Synergistic Photothermal Antibacterial Therapy and Anti-Inflammatory Regulation in Periodontal Infections.","authors":"Shu Lou,Zhurun Fang,Guogang Shan,Yiting Gao,Dingyuan Yan,Qifeng Li,Dong Wang,Ming Zhang,Yan Xu","doi":"10.1021/acsnano.5c08054","DOIUrl":"https://doi.org/10.1021/acsnano.5c08054","url":null,"abstract":"Traditional treatments for periodontal tissue infection, including mechanical debridement and pharmacotherapeutic protocols, are ineffective at removing bacteria and may lead to drug resistance and side effects. Meanwhile, these methods cannot reduce lipopolysaccharide production or eliminate free radicals. Photothermal therapy offers a promising alternative for bacterial eradication. Herein, therapeutic nanoparticles (Dex/AA@AIE-2 NPs) containing an aggregation-induced emission luminogen (4TPE-C6T-TD), ascorbic acid (AA), and dextran (Dex) are proposed, which exhibit great photothermal antibacterial efficiency against periodontal bacteria under the near-infrared laser irradiation. 4TPE-C6T-TD shows long absorption in the primary near-infrared region and emission in the secondary near-infrared region, which is satisfactory for practical application in deep tissues because of the void scattering and limited tissue penetration of photons. AA can scavenge free radicals and regulate the polarization of macrophages to the M2 type, which synergistically causes the relief of inflammation. Dex enhances NPs' attachment to bacterial surfaces and their deep penetration into bacterial biofilms. This study provides a therapeutic agent with photothermal-induced bacterial clearance, free radical scavenging, and macrophage polarization regulation abilities, which show huge potential in periodontal tissue infection-related disease treatment.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"101 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145339065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Pressure-Driven Loading of Large Guests in Metal-Organic Frameworks. 金属-有机骨架中大型来宾的压力驱动加载。

IF 17.1 1区材料科学

ACS Nano Pub Date : 2025-10-22 DOI: 10.1021/acsnano.5c12994

Lu Tang,Connor W Edwards,Konstantin Stracke,Yi Zhao,Yanpeng Qi,Christian J Doonan,Jack D Evans,Bo Qiao,Tao Li

{"title":"Pressure-Driven Loading of Large Guests in Metal-Organic Frameworks.","authors":"Lu Tang,Connor W Edwards,Konstantin Stracke,Yi Zhao,Yanpeng Qi,Christian J Doonan,Jack D Evans,Bo Qiao,Tao Li","doi":"10.1021/acsnano.5c12994","DOIUrl":"https://doi.org/10.1021/acsnano.5c12994","url":null,"abstract":"Confining guest molecules within metal-organic frameworks (MOFs) allows their physical and chemical properties to be harnessed in their heterogenized form. However, apart from the loading of small molecules that can freely diffuse into and out of MOF pores, there is not yet a general and efficient strategy for loading and confining bulky organic molecules into MOFs with small apertures. In this work, we demonstrated that pressure can be employed to facilitate the diffusion of guest molecules into the cavities of UiO-66 and UiO-66-NH2, even when the aperture sizes are smaller than the guests. This approach enables rapid and high-capacity loading of liquids or meltable solids that otherwise cannot be incorporated under atmospheric pressure. By studying the loading mechanism, we found that applying pressure can activate local geometric rearrangements of the MOF cavities and guests, enabling physical confinement of the guests within MOFs. As a result, a wide range of guest molecules can be readily encapsulated using our strategy, allowing for broad potential applications, including heterogeneous catalysis, postsynthetic modifications, and drug release.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"102 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145339064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Dynamic Electrospinning of Multimaterial Nanofiber Architectures for Programmable Metamaterials and Multifunctional Devices. 可编程超材料和多功能器件多材料纳米纤维结构的动态静电纺丝。

IF 17.1 1区材料科学

ACS Nano Pub Date : 2025-10-22 DOI: 10.1021/acsnano.5c12262

Haoshi Ding,Lixue Yang,Shiju Yang,Dechi Qi,Yiyao Zhang,Xiaofei Song,Jiuke Mu

{"title":"Dynamic Electrospinning of Multimaterial Nanofiber Architectures for Programmable Metamaterials and Multifunctional Devices.","authors":"Haoshi Ding,Lixue Yang,Shiju Yang,Dechi Qi,Yiyao Zhang,Xiaofei Song,Jiuke Mu","doi":"10.1021/acsnano.5c12262","DOIUrl":"https://doi.org/10.1021/acsnano.5c12262","url":null,"abstract":"Three-dimensional (3D) nanofiber structures are widely applicable across diverse scenarios, but their precise positioning and complex fabrication pose challenges to current 3D printing technologies. This study introduces the dynamic pattern-induced multimaterial nanofiber electrospinning technology (DPMNE Tech), an approach that integrates electrospinning with dynamic patterned circuit collectors to achieve precise nanofiber deposition. This method overcomes traditional nanofiber construction limitations by enabling the fabrication of complex, multimaterial nanofiber composite structures with microscale precision. Through the control of electric field distribution, solution properties, and pattern programming, DPMNE Tech facilitates the customization of functional mechanical metamaterials and dual-gradient directional liquid transport membranes, supporting applications in areas such as biomedical devices and liquid separation technologies. Additionally, the integration of photothermal functionalities enhances the performance of wearable patches and broadens therapeutic applications.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"43 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145338773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Generalized Energy Band Alignment Model for van der Waals Heterostructures with a Charge Spillage Dipole. 具有电荷溢出偶极子的范德华异质结构的广义能带对准模型。

IF 16 1区材料科学

ACS Nano Pub Date : 2025-10-22 DOI: 10.1021/acsnano.5c10603

Seungjun Lee, Eng Hock Lee, Young-Kyun Kwon, Steven J Koester, Phaedon Avouris, Vladimir Cherkassky, Jerry Tersoff, Tony Low

{"title":"Generalized Energy Band Alignment Model for van der Waals Heterostructures with a Charge Spillage Dipole.","authors":"Seungjun Lee, Eng Hock Lee, Young-Kyun Kwon, Steven J Koester, Phaedon Avouris, Vladimir Cherkassky, Jerry Tersoff, Tony Low","doi":"10.1021/acsnano.5c10603","DOIUrl":"https://doi.org/10.1021/acsnano.5c10603","url":null,"abstract":"The energy band alignment at the interface of van der Waals heterostructures (vdWHs) is a key design parameter for next-generation electronic and optoelectronic devices. Although the Anderson and midgap models have been widely adopted for bulk semiconductor heterostructures, they exhibit severe limitations when applied to vdWHs, particularly for type-III systems. Based on first-principles calculations for approximately 103 vdWHs, we demonstrate that these traditional models miss a critical dipole arising from interlayer charge spillage. We introduce a generalized linear response (gLR) model that includes this dipole through a quantum capacitance term while remaining analytically compact. With only two readily computed inputs, the charge neutrality level offset and the sum of the isolated-layer bandgaps, the gLR reproduces density functional theory (DFT) band line-ups with r2 ∼ 0.9 across type-I, -II, and -III stacks. Machine learning feature analysis confirms that these two descriptors dominate the underlying physics, indicating that the model is near-minimal and broadly transferable. The gLR framework therefore provides both mechanistic insight and a fast and accurate surrogate for high-throughput screening of the vast vdW heterostructure design space.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":" ","pages":""},"PeriodicalIF":16.0,"publicationDate":"2025-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342079","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 Specific Real-Time Tracking of Single Virus Particles. 单个病毒颗粒的高特异性实时跟踪。

IF 17.1 1区材料科学

ACS Nano Pub Date : 2025-10-21 DOI: 10.1021/acsnano.5c11017

Eunji Hong,Geunho Jang,Chen Lin,Siyuan Rao,Qianbin Wang

{"title":"High Specific Real-Time Tracking of Single Virus Particles.","authors":"Eunji Hong,Geunho Jang,Chen Lin,Siyuan Rao,Qianbin Wang","doi":"10.1021/acsnano.5c11017","DOIUrl":"https://doi.org/10.1021/acsnano.5c11017","url":null,"abstract":"Viruses are powerful biological platforms with broad applications in gene therapy, vaccine delivery, neuroscience, and nanomedicine. Unlocking their full potential requires a precise understanding of their dynamic behaviors, such as cellular entry, intracellular trafficking, and genome release, at the single-particle level. However, real-time tracking remains challenging due to the nanoscale size and optical transparency of viral particles, as well as limitations in current fluorescent labeling strategies. Conventional approaches using organic dyes or quantum dots (QDs) are often hindered by nonspecific background signals arising from unbound fluorophores. Here, we introduce a carbon quantum dot-virus association strategy that labels viral particles during their native assembly and packaging, thereby avoiding the limitations of postsynthetic modification. Through the integration of density gradient ultracentrifugation and size-selective filtration, we obtain highly purified, traceable viral particles devoid of detectable free QDs. Using adeno-associated virus (AAV) as nonenveloped virus models and lentivirus as enveloped ones, we demonstrate real-time tracking of viral entry, intracellular dynamics, and in vivo gene delivery to ocular tissues. This carbon QD-enabled platform presents single-particle spatiotemporal resolution and signal clarity, supporting high-fidelity viral imaging and next-generation viral therapies.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"129 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145331995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Nanostraw Electroporation for Temporal RNA Sampling from Living 2D and 3D Cell Culture Systems. 纳米吸管电穿孔对活的二维和三维细胞培养系统的时间RNA取样。

IF 17.1 1区材料科学

ACS Nano Pub Date : 2025-10-21 DOI: 10.1021/acsnano.5c11267

Ying Jie Quek,Arun R K Kumar,Giulia Adriani,Andy Tay

{"title":"Nanostraw Electroporation for Temporal RNA Sampling from Living 2D and 3D Cell Culture Systems.","authors":"Ying Jie Quek,Arun R K Kumar,Giulia Adriani,Andy Tay","doi":"10.1021/acsnano.5c11267","DOIUrl":"https://doi.org/10.1021/acsnano.5c11267","url":null,"abstract":"Traditional gene expression studies extract RNA through destructive cell lysis, restricting analysis to single time points and necessitating parallel samples. This prevents temporal tracking in the same cells and poses challenges for scarce primary samples. To overcome this, we present nanoelectroextraction (NEE), a minimally perturbative, unbiased RNA sampling technique compatible with both 2D and 3D culture systems. NEE utilizes hollow nanostraw membranes with mild electroporation to extract intracellular RNA without compromising cell viability or gene expression, as confirmed by RNA sequencing. The method is compatible with multiple detection platforms, including qPCR and bulk RNA sequencing. We validate NEE across 2D A549 cells, primary normal human lung fibroblasts, human monocyte-derived macrophages, and 3D cancer spheroids. Over 3 days, NEE enables longitudinal tracking of gene expression dynamics, capturing cytokine-induced reprogramming and siRNA-mediated knockdown with strong agreement to lysis controls. NEE thus provides a powerful platform for studying dynamic gene expression in both conventional and complex biological models.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"129 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145331945","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Oxygen-Assisted Growth of 2D Vanadium Oxyhalides with Ordered Vanadium Dimerization. 二维氧化卤化钒有序二聚化的氧辅助生长。

IF 17.1 1区材料科学

ACS Nano Pub Date : 2025-10-21 DOI: 10.1021/acsnano.5c10122

Shangtien Yang,Kwok Kwan Tang,Yu Liang,Ziyi Han,Qing Zhang,Xiaoxu Zhao

{"title":"Oxygen-Assisted Growth of 2D Vanadium Oxyhalides with Ordered Vanadium Dimerization.","authors":"Shangtien Yang,Kwok Kwan Tang,Yu Liang,Ziyi Han,Qing Zhang,Xiaoxu Zhao","doi":"10.1021/acsnano.5c10122","DOIUrl":"https://doi.org/10.1021/acsnano.5c10122","url":null,"abstract":"Two-dimensional (2D) transition metal halides and oxyhalides offer a versatile platform for investigating emergent quantum phenomena and functionalities. However, achieving structural tunability remains a major challenge. Here, we report an oxygen-assisted chemical vapor deposition (CVD) method for the selective synthesis of vanadium dichloride (VCl2) and vanadium oxychloride (VOCl). By modulating the oxygen partial pressure within a space-confined growth environment, we achieve precise phase control and synthesize large-area ultrathin crystals with high crystallinity and a well-defined stoichiometry. Atomic-resolution electron microscopy imaging reveals that VOCl exhibits long-range periodic vanadium dimerization, resulting in a symmetry-lowering lattice distortion that enables second-harmonic generation (SHG) in an otherwise centrosymmetric structure. Additionally, VOCl demonstrates pronounced in-plane anisotropy, reflecting the directional phonon responses inherent to its lattice symmetry. These findings not only establish a robust synthetic strategy for 2D transition metal halides and oxyhalides but also identify VOCl as a model system for exploring lattice-driven symmetry breaking and nonlinear optical responses in centrosymmetric systems.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"98 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145331987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Magnesiothermically Synthesized TiO-Decorated 3D N-Doped Graphitized Porous Carbon as a Multifunctional Sulfur Host for Li-S Batteries. 镁热法合成tio修饰的三维n掺杂石墨化多孔碳作为Li-S电池的多功能硫载体。

IF 17.1 1区材料科学

ACS Nano Pub Date : 2025-10-21 DOI: 10.1021/acsnano.5c11688

Bo Yu,Caleb Gyan-Barimah,Jian Wang,Muhammad Irfansyah Maulana,Jong Hun Sung,Jeong-Hoon Yu,Seung-Tae Hong,Kunpeng Wang,Jong-Sung Yu

{"title":"Magnesiothermically Synthesized TiO-Decorated 3D N-Doped Graphitized Porous Carbon as a Multifunctional Sulfur Host for Li-S Batteries.","authors":"Bo Yu,Caleb Gyan-Barimah,Jian Wang,Muhammad Irfansyah Maulana,Jong Hun Sung,Jeong-Hoon Yu,Seung-Tae Hong,Kunpeng Wang,Jong-Sung Yu","doi":"10.1021/acsnano.5c11688","DOIUrl":"https://doi.org/10.1021/acsnano.5c11688","url":null,"abstract":"Lithium-sulfur batteries are promising next-generation energy storage platforms due to their high theoretical energy density, cost-effectiveness, and environmental benefits. However, challenges such as the lithium polysulfide (LiPS) shuttling effect, low Coulombic efficiency (CE), and poor sulfur conductivity hinder their practical application. To address these challenges, we designed a previously unreported sulfur (S) host material, titanium monoxide-decorated 3D N-doped graphitized porous carbon (TiO-NGPC), via a simple and efficient magnesium thermal reduction method. TiO nanoparticles embedded in N-doped graphitized porous carbon act as polar anchors for soluble LiPSs, accelerating redox reactions and alleviating the shuttle phenomenon. Simultaneously, the 3D graphitized carbon structure facilitates efficient electron transport. These synergistic effects collectively contribute to improved sulfur utilization. When employed as a sulfur-loaded cathode material, TiO-NGPC/S delivers an initial specific capacity of 1082.32 mAh g-1 at 1.0 C, retaining 580.68 mAh g-1 after 1000 cycles with a CE of 96.06%, demonstrating excellent cycling stability. At a high sulfur loading of 8.97 mg cm-2, it achieves a specific capacity of 1100.36 mAh g-1 and an area-specific capacity of 9.87 mAh cm-2. Furthermore, the assembled pouch cell exhibited an outstanding electrochemical performance, delivering a high specific capacity of 1158.78 mAh g-1 with a corresponding CE of 99% during the first discharge cycle. Density functional theory simulations confirm the strong adsorption of LiPSs and catalytic activity of TiO, highlighting its potential as a multifunctional host for high-performance lithium-sulfur batteries.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"27 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145338642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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