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Regulating a Co3O4/ZnO heterojunction aerogel with a built-in electric field for enhanced CO2 photoreduction to solar fuels from DFT insights. 利用内嵌电场调节Co3O4/ZnO异质结气凝胶,增强二氧化碳光还原到太阳能燃料。
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-26 DOI: 10.1039/d5nr01315a
Wei Zhao,Sijia Ren,Yanfang Zheng,Yunlong Sun,Xiaodong Wu,Caiyue Liu,Jinpeng Shi,Kun Yang,Xiaobin Ma,Sheng Cui,Xiaodong Shen
{"title":"Regulating a Co3O4/ZnO heterojunction aerogel with a built-in electric field for enhanced CO2 photoreduction to solar fuels from DFT insights.","authors":"Wei Zhao,Sijia Ren,Yanfang Zheng,Yunlong Sun,Xiaodong Wu,Caiyue Liu,Jinpeng Shi,Kun Yang,Xiaobin Ma,Sheng Cui,Xiaodong Shen","doi":"10.1039/d5nr01315a","DOIUrl":"https://doi.org/10.1039/d5nr01315a","url":null,"abstract":"P-N-type heterojunctions have the potential to serve as highly efficient photocatalysts for CO2 reduction, owing to their remarkable carrier separation efficiency, high stability, and strong redox capacity. In this study, a novel P-N Co3O4/ZnO heterojunction aerogel photocatalyst was fabricated through a process starting with the propylene oxide ring-opening-induced gelation technique. The resulting Co3O4/ZnO aerogel exhibits an interconnected, hierarchical porous structure, which endows it with a particle diameter size at around several tens of nanometers and a large BET-specific surface area, thereby providing abundant exposed active sites. Under simulated solar spectral conditions, the yields of CH4 and CO can attain 18 μmol g-1 h-1 and 14.4 μmol g-1 h-1, respectively, in the absence of any sacrificial agent and photosensitizer. These values are 12.0 times and 5.8 times higher than those of the pristine Co3O4 aerogel. Based on density functional theory (DFT) calculations, the activation mechanism of CO2 on the catalyst surface is illustrated. This is confirmed by the elongated CO bond length of the CO2 molecule from 1.174 and 1.175 Å to 1.376 and 1.259 Å, respectively, after forming the Co3O4/ZnO heterojunction, which is further confirmed by the more negative CO2 adsorption energy. Further research demonstrates that the built-in electric field formed at the heterojunction interface effectively promotes the recombination of electrons in the conduction band of Co3O4 with holes in the valence band of ZnO, significantly enhancing the carrier separation efficiency and thereby boosting the photocatalytic reduction activity of CO2. This work goes beyond providing new strategies for designing efficient CO2 reduction photocatalysts, extending its impact to advancing the utilization of aerogel materials in the field of photocatalysis.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"31 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144488133","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
Investigations of ligand hole of Ni-rich layered cathodes: a new organic coverage to battery performance enhancement 富镍层状阴极配体空穴的研究:提高电池性能的一种新的有机覆盖
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-25 DOI: 10.1039/d5nr00657k
Fu Ming Wang, Laurien Merinda, Nan-Hung Yeh, Rio Akbar Yuwono, Chusnul Khotimah, Hao-Hsuan Hsia, Nae-Lih Wu
{"title":"Investigations of ligand hole of Ni-rich layered cathodes: a new organic coverage to battery performance enhancement","authors":"Fu Ming Wang, Laurien Merinda, Nan-Hung Yeh, Rio Akbar Yuwono, Chusnul Khotimah, Hao-Hsuan Hsia, Nae-Lih Wu","doi":"10.1039/d5nr00657k","DOIUrl":"https://doi.org/10.1039/d5nr00657k","url":null,"abstract":"Ni-rich (Ni content > 60%) layered cathodes are currently the most promising materials for lithium-ion batteries due to their high capacity and elevated voltage plateau compared to LiFePO4. However, Ni-rich cathodes face significant challenges, such as Jahn-Teller distortion, cation mixing, electrolyte deprotonation, and the presence of residual lithium compounds. These issues present barriers to the widespread use of high-energy-density lithium-ion batteries employing Ni-rich cathodes. Ni-rich cathodes, containing a high concentration of Ni3+, encounter another problem known as the oxygen ligand hole effect, which affects the hybridization of O 2p and Ni 3d orbitals. Anionic redox occurs at the oxygen site with Ni3+, leading to a decrease in electron density, making the formation of Ni4+ at high states of charge (SOC) difficult. Consequently, battery capacity is primarily derived from anionic redox reactions. This study presents an organic coverage (OC) designed to enhance the stability of the oxygen ligand hole, enabling greater capacity through enhanced Li+ interaction. Additionally, Ni-rich cathodes often suffer from gas evolution when charged to a high SOC, primarily due to the instability of the Ni-O bond. The OC is hypothesized to support the chemical reduction of Ni 2p53dn+2L back to Ni 2p63dn+1L, the L represents O 1s12px+1 → O 1s22px on the surface of NMC811, thereby strengthening the oxygen ligand hole and stabilizing covalent Ni3+. This improvement results in the OC-modified NMC811 exhibiting outstanding cycle performance under high-rate tests and excellent stability at high temperatures.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"17 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479648","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
Transparent perovskite-based nanoceramics elaborated from full glass crystallization 透明钙钛矿基纳米陶瓷是由全玻璃结晶制备的
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-25 DOI: 10.1039/d5nr01725d
Jie Fu, Guoguo Zhang, Han-Yu Zou, Chengzhi Wang, Cécile Genevois, Emmanuel Véron, Mathieu Allix, Jianqiang Li
{"title":"Transparent perovskite-based nanoceramics elaborated from full glass crystallization","authors":"Jie Fu, Guoguo Zhang, Han-Yu Zou, Chengzhi Wang, Cécile Genevois, Emmanuel Véron, Mathieu Allix, Jianqiang Li","doi":"10.1039/d5nr01725d","DOIUrl":"https://doi.org/10.1039/d5nr01725d","url":null,"abstract":"All-inorganic perovskite nanocrystals are considered promising candidates for applications in optoelectronics including light-emitting diodes (LEDs), phosphors, solar cells and photodetectors, etc. However, all-inorganic perovskite nanocrystals mainly exist in the form of powders and single crystals. The former often suffers from limited chemical stability and large dependence on matrix materials, while the latter typically involves long-term and complex preparation processes. In this paper, we report the successful synthesis of a transparent GdAlO3 (GdAP)-based perovskite nanocrystalline ceramic for the first time using a low-temperature (1000 °C) glass crystallization of 74 mol% Al2O3-26 mol% Gd2O3 bulk glass. And, among which the bulk glass is prepared by a containerless solidification process. The resulting ceramics exhibit a biphasic nanostructure composed of GdAP main phase (76.9 wt%) and Al2O3 secondary phase (23.1 wt%). The fully dense GdAP-Al2O3 nanoceramics demonstrate a good transmittance of 77%@780 nm and an excellent mechanical property (hardness is 24 GPa). When doped with Tb3+, the transparent Tb:GdAP-Al2O3 perovskite nanocrystalline ceramics can be efficiently excited under ultraviolet radiation at 369 nm to emit green fluorescence at 544 nm. Moreover, XEL spectra show that the luminous intensity of transparent 7%Tb:GdAP-Al2O3 perovskite nanocrystalline ceramic is approximately 4.5 times higher than that of the commercial BGO single crystal. Additionally, the light yield of transparent 7%Tb:GdAP-Al2O3 perovskite nanocrystalline ceramics is calculated to be approximately 45,000 ph/MeV. Therefore, the transparent GdAP-Al2O3 perovskite nanocrystalline ceramics presented in this paper exhibit good transmittance, excellent mechanical properties, and promising X-ray detection performance, demonstrating wide potential applications in a wide range of optical fields, including optical windows, lenses, scintillators, X-ray detection imaging, and phosphors.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"1 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479628","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
2D Carbon’s Dual Pioneers: Graphene Oxide and Graphdiyne Guiding Solar Evaporation through Three-Dimensional Mastery 二维碳的双重先驱:氧化石墨烯和石墨炔通过三维掌握引导太阳能蒸发
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-25 DOI: 10.1039/d5nr01104c
Xiaojun He, Zhenglin Wang, Zifeng Jin, lianmin Qiao, Hui Zhang, Nan Chen
{"title":"2D Carbon’s Dual Pioneers: Graphene Oxide and Graphdiyne Guiding Solar Evaporation through Three-Dimensional Mastery","authors":"Xiaojun He, Zhenglin Wang, Zifeng Jin, lianmin Qiao, Hui Zhang, Nan Chen","doi":"10.1039/d5nr01104c","DOIUrl":"https://doi.org/10.1039/d5nr01104c","url":null,"abstract":"Carbon-based two-dimensional (2D) materials, graphene oxide (GO) and graphdiyne (GDY), emerge as dual pioneers in Solar-powered water purification technology by mastering three-dimensional (3D) optimization: broadband photon harvesting, localized thermal management, and controllable water transport. This review dissects how their unique hybridization modes—GO’s sp²/sp³ heterostructure and GDY’s sp/sp²-conjugated lattice—synergize to govern these tripartite mechanisms. First, orbital engineering in GO extends π-π* transitions for a high solar absorption, while GDY’s Dirac-cone bandgap enables ultrafast hot-carrier generation. Second, thermal confinement is achieved through GO’s anisotropic heat dissipation and GDY’s proton-relay networks, minimizing parasitic losses. Third, the electrostatic force elimination effect of GO, coupled with GDY’s nanometer-scale channel regulation, enables efficient ion separation and screening. Critically, we demonstrate how these three dimensions—light, heat, and mass—are interlocked: GO’s hydrophilicity accelerates evaporation kinetics, while GDY’s structural flexibility tailors water pathways. Challenges such as GO’s oxidation instability and GDY’s scalable synthesis are addressed, with future directions advocating machine learning-driven hybridization control and modular evaporator designs. This work redefines “3D mastery” as a paradigm integrating spectral, thermal, and fluidic optimization, offering a roadmap for next-generation solar water-energy systems.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"2019 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479391","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
Outstanding Reviewers for Nanoscale in 2024 2024年纳米级杰出审稿人
IF 5.8 3区 材料科学
Nanoscale Pub Date : 2025-06-25 DOI: 10.1039/D5NR90125A
{"title":"Outstanding Reviewers for Nanoscale in 2024","authors":"","doi":"10.1039/D5NR90125A","DOIUrl":"10.1039/D5NR90125A","url":null,"abstract":"<p >We would like to take this opportunity to thank all of <em>Nanoscale</em>'s reviewers for helping to preserve quality and integrity in the chemical science literature. We would also like to highlight the Outstanding Reviewers for <em>Nanoscale</em> in 2024.</p>","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":" 26","pages":" 15552-15553"},"PeriodicalIF":5.8,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479481","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 Properties and Interfacial Engineering of metal-semiconductor 1T-, 2H -Ta2B MBene/Janus MoSSe Heterostructures 金属半导体1T-, 2H - ta2b MBene/Janus MoSSe异质结构的电子性质和界面工程
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-25 DOI: 10.1039/d5nr01589h
Pham T. Truong, Nguyen N. Hieu, Nguyen V. Hieu, Nguyen Cuong, Linh P.T. Tran, Huynh V. Phuc, Chuong V. Nguyen
{"title":"Electronic Properties and Interfacial Engineering of metal-semiconductor 1T-, 2H -Ta2B MBene/Janus MoSSe Heterostructures","authors":"Pham T. Truong, Nguyen N. Hieu, Nguyen V. Hieu, Nguyen Cuong, Linh P.T. Tran, Huynh V. Phuc, Chuong V. Nguyen","doi":"10.1039/d5nr01589h","DOIUrl":"https://doi.org/10.1039/d5nr01589h","url":null,"abstract":"Metal-semiconductor heterostructures are pivotal in modern electronics, offering a crucial interface that governs carrier transport and significantly impacts device performance and functionality. In this study, we systematically investigate the structural, electronic, mechanical, and contact properties of the 1T- and 2H-type Ta2B/MoSSe heterostructures using first-principles calculations. Our results confirm that both heterostructures are energetically, dynamically, and mechanically stable, with the Ta2B and MoSSe layers held together by van der Waals (vdW) forces, ensuring stability and potential exfoliation in future experiments. The Ta2B/MoSSe heterostructures exhibit exceptional mechanical robustness, making them highly suitable for integration into solid-state devices. Furthermore, all stacking configurations of the 1T(2H)-Ta2B/MoSSe heterostructures form n-type Schottky contacts, which can be effectively tuned by altering the stacking arrangements. Our findings indicate that, regardless of whether the metallic Ta2B layer is stacked on the S or Se side of the MoSSe monolayer, electron conduction dominates charge transport in the heterostructures. This inherent n-type contact formation is advantageous for applications requiring efficient electron transport, such as high-speed electronics and optoelectronic devices. Notably, the Ta2B/MoSSe heterostructures demonstrate low contact resistance, making them promising candidates for next-generation electronic devices. These findings provide critical insights into the fundamental properties of Ta2B/MoSSe heterostructures, underscoring their potential for next-generation electronic devices.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"17 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479479","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
Role of Nitrogen and Oxygen in the nucleation and growth of Silver Nanoparticles in gas-phase synthesis 氮和氧在气相合成银纳米颗粒成核和生长中的作用
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-25 DOI: 10.1039/d5nr01526j
Salomé Trillot, Patrizio Benzo, Sophie Barre, Nathalie Tarrat, Magali Benoit, Kremena Makasheva, Caroline Bonafos
{"title":"Role of Nitrogen and Oxygen in the nucleation and growth of Silver Nanoparticles in gas-phase synthesis","authors":"Salomé Trillot, Patrizio Benzo, Sophie Barre, Nathalie Tarrat, Magali Benoit, Kremena Makasheva, Caroline Bonafos","doi":"10.1039/d5nr01526j","DOIUrl":"https://doi.org/10.1039/d5nr01526j","url":null,"abstract":"In this study, we synthesized silver nanoparticles (AgNPs) in the gas phase and explored the influence of a small amount of reactive gases on their structural properties. Through a combined approach of transmission electron microscopy (TEM) with atomic resolution and in situ optical emission spectroscopy, we investigated the nucleation mechanisms of silver in the gas phase. Our findings put forward the ion-induced nucleation as mechanisms playing a pivotal role in the significant increase in AgNP surface density observed upon the introduction of a small amount of oxygen (below 0.5%). These results provide key insights into on the impact of reactive gases on nanoparticles formation and underline the mechanism driving their nucleation in plasma environments","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"21 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479649","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
Quantum Dot-Infused Nanocomposites: Revolutionizing Diagnostic Sensitivity 量子点注入纳米复合材料:革命性的诊断灵敏度
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-25 DOI: 10.1039/d5nr00440c
Zahra Amiri, Parsa Taromi, Keyvan Alavi, Parto Ghahramani, William C. Cho, Marzieh Ramezani Farani, Yun Suk Huh
{"title":"Quantum Dot-Infused Nanocomposites: Revolutionizing Diagnostic Sensitivity","authors":"Zahra Amiri, Parsa Taromi, Keyvan Alavi, Parto Ghahramani, William C. Cho, Marzieh Ramezani Farani, Yun Suk Huh","doi":"10.1039/d5nr00440c","DOIUrl":"https://doi.org/10.1039/d5nr00440c","url":null,"abstract":"Quantum dot-infused nanocomposites (QDNCs) represent an innovative breakthrough in diagnostic medicine, offering unparalleled sensitivity and specificity. Due to their size-tunable optical properties, high quantum yield, and photostability, quantum dots (QDs) emerging as pivotal building blocks in the early diagnosis of diseases. Through the integration of QDs into nanocomposites, a significant enhancement in diagnostic capabilities has occurred, facilitating targeted delivery, signal amplification, and multi-functionality. A platform established on such advancements enables the ultra-sensitive detection of biomarkers at the femtomolar level in complex biological media, expanding applications within cancer diagnostics, infectious diseases, and real-time glucose monitoring. QD-based nanocomposites also encompass novel structural designs such as core-shell and hybrid systems that further enhance stability, biocompatibility, and performance in imaging and biosensing. Innovations in surface functionalization and green synthesis methods have surmounted challenges related to toxicity and scalability, thereby rendering these materials more suitable for clinical applications. Furthermore, the integration of QDNCs with artificial intelligence and machine learning is paving the way towards intelligent diagnostic platforms capable of real-time analysis and personalized medicine. This study investigates the engineering of QDNCs, their transformative role in healthcare diagnostics, and their potential to revolutionize point-of-care devices. The capability to address significant translational challenges concerning biocompatibility, toxicity, and scalability will position QD-based technologies to set a new standard for precision diagnostics, ushering in new advancements in global healthcare.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"45 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479392","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
Enhanced Dielectric Performance of AFRP via Bidirectional Modification: Fluorinated SiO2 Honeycomb-like Architecture on Fiber Surfaces and Al2O3 Nanoparticle Doping in Resin Matrix 通过双向改性增强AFRP的介电性能:纤维表面的氟化SiO2蜂窝状结构和树脂基体中掺杂Al2O3纳米颗粒
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-25 DOI: 10.1039/d5nr01711d
Jun Xie, Xiaoyu Shi, Guowei Xia, Bobin Xu, Longyin Qiao, Chengming Hu, Qing Xie
{"title":"Enhanced Dielectric Performance of AFRP via Bidirectional Modification: Fluorinated SiO2 Honeycomb-like Architecture on Fiber Surfaces and Al2O3 Nanoparticle Doping in Resin Matrix","authors":"Jun Xie, Xiaoyu Shi, Guowei Xia, Bobin Xu, Longyin Qiao, Chengming Hu, Qing Xie","doi":"10.1039/d5nr01711d","DOIUrl":"https://doi.org/10.1039/d5nr01711d","url":null,"abstract":"As the core component of gas-insulated switchgear (GIS) and ultra-high voltage transmission systems, the reliability of high-performance insulating rods is crucial for system stability. Aramid fiber-reinforced epoxy resin composites (AFRP) have become an ideal material for high-performance insulating rods due to their lightweight properties and high strength. However, the interfacial weakening effect in AFRP, caused by the low surface energy and chemical inertness of aramid fibers (AF), remains a critical technical bottleneck limiting its engineering applications. This study constructs a honeycomb-like surface structure on AF through the synergistic interaction of 1H,1H,2H,2H-perfluorodecyltrimethoxysilane (FDTS) and SiO2 nanoparticles. By incorporating Al2O3 nanoparticles into the epoxy matrix, the interfacial bonding strength and insulation properties of AFRP are synergistically enhanced. The interfacial shear strength and tensile strength of AFRP increased by 123.02% and 129.13%, respectively, while the breakdown field strength improved by 64.45%. Analysis of micro-nano structural characterization reveals that the interfacial enhancement originates from the combined effects of AF surface modification and Al2O3 doping, which optimize interfacial insulation properties through non-bonding interactions introduced by FDTS, SiO2, and Al2O3.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"69 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479629","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
Experimental and first principle DFT comprehensions of metal and bimetal modified bismuth titanate for wastewater treatment and CO2 hydrogenation. 金属和双金属改性钛酸铋废水处理和CO2加氢的实验和第一级原理DFT综合。
IF 6.7 3区 材料科学
Nanoscale Pub Date : 2025-06-25 DOI: 10.1039/d5nr01250c
Isha Arora,Seema Garg,Andras Sapi,Mohit Yadav,Zoltán Kónya,Pravin Popinand Ingole,Ajay,Sumant Upadhyay,Amrish Chandra
{"title":"Experimental and first principle DFT comprehensions of metal and bimetal modified bismuth titanate for wastewater treatment and CO2 hydrogenation.","authors":"Isha Arora,Seema Garg,Andras Sapi,Mohit Yadav,Zoltán Kónya,Pravin Popinand Ingole,Ajay,Sumant Upadhyay,Amrish Chandra","doi":"10.1039/d5nr01250c","DOIUrl":"https://doi.org/10.1039/d5nr01250c","url":null,"abstract":"Incorporating copper (Cu) and silver (Ag) at the bismuth titanate (BT) surface was carried out via hydrolysis method followed by calcination at 700 °C. Modified BT further tested for the photodegradation of a recalcitrant pollutant Bisphenol-A (BPA), followed by the evaluation of photocatalytic hydrogenation of CO2 for selective production of CO and CH4. Photodegradation studies were remarkable in BT doped with both the metals (labelled \"BTCA\") as compared to pristine BT and mono metal modified BT with Cu and Ag. In case of photocatalytic CO2 hydrogenation, BTCA analyte demonstrated a proximal increase in CO2 conversion efficiency, which enhanced up to 39.1% as compared to monometallic doped and pristine BT. CO was the primary product of CO2 reduction, while CH4 was also produced to a lesser level. As CH4 selectivity increased, surface normalised CO2 conversion rates declined. This result was attributed to the difference in the number of electrons required to convert CO2 to CO or CH4. In our previous work of pristine BT, methane selectivity was only 0.1-0.2% of the overall CO2 conversion. Hence, present findings are based on the modification of BT with copper and silver, for the evaluation of electron transfer and abundance for enhanced selectivity for CH4.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"13 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144478882","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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