Pub Date : 2025-04-03DOI: 10.1016/j.commatsci.2025.113872
Mingjie Pu, Rui Hu, Lin Liu
Utilizing two-dimensional black phosphorene (BP) as a solid lubricant for improving the tribological properties of substrate materials is a promising way. Here, the tribological behaviors of BP-coated substrates have been investigated by molecular dynamics simulations and relevant mechanisms are also explored through first-principles calculations. Compared with Si, Cu and Ni substrates, non-metallic C substrate exhibits the lowest coefficient of friction (COF) due to low energy barriers of potential energy surfaces. In addition, increasing the scratch depth and number of BP layers can decrease the COF effectively, which are mainly attributed to the enhancing of charge transfer and stacking effect of atoms. This study provides a possible method of using two-dimensional materials as solid lubricants to improve the tribological performances of mechanical components.
{"title":"Molecular dynamics and first-principles investigation of tribological behaviors of black phosphorus-coated substrates","authors":"Mingjie Pu, Rui Hu, Lin Liu","doi":"10.1016/j.commatsci.2025.113872","DOIUrl":"10.1016/j.commatsci.2025.113872","url":null,"abstract":"<div><div>Utilizing two-dimensional black phosphorene (BP) as a solid lubricant for improving the tribological properties of substrate materials is a promising way. Here, the tribological behaviors of BP-coated substrates have been investigated by molecular dynamics simulations and relevant mechanisms are also explored through first-principles calculations. Compared with Si, Cu and Ni substrates, non-metallic C substrate exhibits the lowest coefficient of friction (COF) due to low energy barriers of potential energy surfaces. In addition, increasing the scratch depth and number of BP layers can decrease the COF effectively, which are mainly attributed to the enhancing of charge transfer and stacking effect of atoms. This study provides a possible method of using two-dimensional materials as solid lubricants to improve the tribological performances of mechanical components.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"253 ","pages":"Article 113872"},"PeriodicalIF":3.1,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760441","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}
Black phosphorus (BP) is poised as a next-generation anode material for potassium-ion batteries (PIBs) due to its expansive interlayer spacing and superior conductivity. However, its limited cycling stability, particularly under high current densities, restricts its real-world utility. This research introduces a novel approach by encapsulating BP quantum dots (QDs) within S, N co-doped nanocages, anchored with Fe/Cu single atoms, and reinforced by an aminos-based covalent organic framework (FeCu-SNC@BP@COF) for enhanced K+ storage. The study observes a reversible transformation from hept-coordinated N2PFe-CuN3 to quadrilateral Cu-N4 and Fe-N3P units, facilitating rapid redox kinetics. Concurrently, the COF undergoes a structural shift from AA to ABC, disrupting long-range π-π stacking and short-range disorder, which significantly accelerates K+ transport and accommodates the substantial volume changes during cycling. As a result, FeCu-SNC@BP@COF achieves a high discharge capacity of 567 mAh g-1 at a demanding rate of 20 A g-1 and maintains an impressive 80.4% capacity after 1000 cycles at 1 A g-1. This atomic-scale coordination-environment integrated conformational transformation strategy (CEICT) offers profound insights into the development of self-adaptive, inherently fast-charging, and durable battery devices.
{"title":"Rigid Organic-inorganic Coordination Adaptable Network Integrated Conformational Transformation of BP based Complex for Superior Potassium Storage","authors":"Yue Li, Fusheng Liu, Jian Wang, Qingxiang Wang, Guohui Qin, Xiangming He","doi":"10.1016/j.nanoen.2025.110956","DOIUrl":"https://doi.org/10.1016/j.nanoen.2025.110956","url":null,"abstract":"Black phosphorus (BP) is poised as a next-generation anode material for potassium-ion batteries (PIBs) due to its expansive interlayer spacing and superior conductivity. However, its limited cycling stability, particularly under high current densities, restricts its real-world utility. This research introduces a novel approach by encapsulating BP quantum dots (QDs) within S, N co-doped nanocages, anchored with Fe/Cu single atoms, and reinforced by an aminos-based covalent organic framework (FeCu-SNC@BP@COF) for enhanced K<sup>+</sup> storage. The study observes a reversible transformation from hept-coordinated N<sub>2</sub>PFe-CuN<sub>3</sub> to quadrilateral Cu-N<sub>4</sub> and Fe-N<sub>3</sub>P units, facilitating rapid redox kinetics. Concurrently, the COF undergoes a structural shift from AA to ABC, disrupting long-range π-π stacking and short-range disorder, which significantly accelerates K<sup>+</sup> transport and accommodates the substantial volume changes during cycling. As a result, FeCu-SNC@BP@COF achieves a high discharge capacity of 567 mAh g<sup>-1</sup> at a demanding rate of 20<!-- --> <!-- -->A<!-- --> <!-- -->g<sup>-1</sup> and maintains an impressive 80.4% capacity after 1000 cycles at 1<!-- --> <!-- -->A<!-- --> <!-- -->g<sup>-1</sup>. This atomic-scale coordination-environment integrated conformational transformation strategy (CEICT) offers profound insights into the development of self-adaptive, inherently fast-charging, and durable battery devices.","PeriodicalId":394,"journal":{"name":"Nano Energy","volume":"57 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766430","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}
Nik Muhammad Izzudin, Aishah A. Jalil, Saravanan Rajendran, N.S. Hassan, Muhammad Hakimi Sawal, Nur Izzati Hannani Hazril, Yuki Nagao, Kentaro Aoki, Sharif Zein
Bismuth vanadate (BiVO4) is one of the top-notch materials in photoelectrochemical (PEC) water-splitting studies due to its promising properties. However, its practical application is significantly hindered by inherent limitations that reduce its efficiency in water-splitting processes. In this study, a novel approach involving size transformation and improved dispersion of BiVO4 was achieved using a microemulsion method, with fibrous silica serving as a supportive matrix. The fabricated catalyst, fibrous silica bismuth vanadate (FSBVO), was comprehensively characterized by XRD, FTIR, FESEM, TEM, UV-Vis/DRS, Mott-Schottky analysis, EIS, and PL spectroscopy, and been compared to that of commercial BiVO4. PEC analysis demonstrated that the FSBVO photoanode delivered remarkable performance, attaining a photocurrent density of 19.8 mA/cm² at 1.23 VRHE and a solar-to-hydrogen conversion efficiency of 24.35%. These results correspond to enhancements of approximately 27.5 times and 27.4 times, respectively, relative to the pristine BiVO4 photoanode. Further depth studies revealed that such improvement in the PEC water-splitting performance was mainly attributed to the transformation of BiVO4 into nanoparticles and a distinctive Si-Bi interaction, which increased carrier density and facilitated efficient electron transport, thereby accelerating oxygen evolution kinetics. This study highlights the potential of FSBVO photoanodes and provides valuable insights for designing advanced materials to enhance PEC water-splitting efficiency
{"title":"Nano-bismuth vanadate supported on fibrous silica reduced the intrinsic charge impedance for superior photoelectrochemical water-splitting performance","authors":"Nik Muhammad Izzudin, Aishah A. Jalil, Saravanan Rajendran, N.S. Hassan, Muhammad Hakimi Sawal, Nur Izzati Hannani Hazril, Yuki Nagao, Kentaro Aoki, Sharif Zein","doi":"10.1039/d4nr05153j","DOIUrl":"https://doi.org/10.1039/d4nr05153j","url":null,"abstract":"Bismuth vanadate (BiVO4) is one of the top-notch materials in photoelectrochemical (PEC) water-splitting studies due to its promising properties. However, its practical application is significantly hindered by inherent limitations that reduce its efficiency in water-splitting processes. In this study, a novel approach involving size transformation and improved dispersion of BiVO4 was achieved using a microemulsion method, with fibrous silica serving as a supportive matrix. The fabricated catalyst, fibrous silica bismuth vanadate (FSBVO), was comprehensively characterized by XRD, FTIR, FESEM, TEM, UV-Vis/DRS, Mott-Schottky analysis, EIS, and PL spectroscopy, and been compared to that of commercial BiVO4. PEC analysis demonstrated that the FSBVO photoanode delivered remarkable performance, attaining a photocurrent density of 19.8 mA/cm² at 1.23 VRHE and a solar-to-hydrogen conversion efficiency of 24.35%. These results correspond to enhancements of approximately 27.5 times and 27.4 times, respectively, relative to the pristine BiVO4 photoanode. Further depth studies revealed that such improvement in the PEC water-splitting performance was mainly attributed to the transformation of BiVO4 into nanoparticles and a distinctive Si-Bi interaction, which increased carrier density and facilitated efficient electron transport, thereby accelerating oxygen evolution kinetics. This study highlights the potential of FSBVO photoanodes and provides valuable insights for designing advanced materials to enhance PEC water-splitting efficiency","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"21 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766616","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}
Development of a new, cost-effective, advanced energy storage material through a simple method is a great challenge among researchers. In this study, we have synthesized an efficient spinel tin nickelate nano-popcorns, SnNi2O4 (SNNPs), through solvothermal process. Further, to enhance its charge transfer characteristics, SNNPs were impregnated on reduced graphene oxide (rGO) nanosheets through ultrasonication to obtain SnNi2O4@rGO (SNNPR). By varying the percentage load ratio of SNNPs and rGO, six different nanocomposites namely, SNNPR-1, SNNPR-2, SNNPR-3, SNNPR-4, SNNPR-5 and SNNPR-6 were produced. They were thoroughly characterized through spectroscopic and microscopic techniques. The electrochemical analysis of all the SNNPs based electrode materials were examined through cyclic voltammetry (CV), Galvanostatic charge-discharge (GCD) and Electrochemical Impedance spectroscopy (EIS). Among these six electrode materials, the SNNPR-3 produces a maximum specific capacitance (Csp) of 225 mAh g-1 (1624 F g-1) in three-electrode assembly at 1 A g-1 and retaining a cycle stability of 94% up to 1000 cycles. Based on the superiority of SNNPR-3, an asymmetric supercapacitor (ASC) was fabricated with SNNPR-3 as cathode and Activated carbon (AC) as anode (SNNPR-3//AC). On through electrochemical performance, the present ASC yielded a specific capacitance, Csp of 264 F g"-1" , high energy density of 62.3 Wh Kg"-1" and power density of 2600 W kg"-1" . The device exhibited 80.02% of retention capacitance even after 5000 cycles. Also, SNNPR-3//AC was able to illuminate a green-light emitting diode. Therefore, this asymmetric energy storage device has enormous potential for practical application in the future.
{"title":"Structural Modulation of Tin Nickelate Nanostructures Embedded in Reduced Graphene Oxide for High-Performance Asymmetric Supercapacitor","authors":"Murugan Eagambaram, Lyric Francis","doi":"10.1039/d5nr00396b","DOIUrl":"https://doi.org/10.1039/d5nr00396b","url":null,"abstract":"Development of a new, cost-effective, advanced energy storage material through a simple method is a great challenge among researchers. In this study, we have synthesized an efficient spinel tin nickelate nano-popcorns, SnNi2O4 (SNNPs), through solvothermal process. Further, to enhance its charge transfer characteristics, SNNPs were impregnated on reduced graphene oxide (rGO) nanosheets through ultrasonication to obtain SnNi2O4@rGO (SNNPR). By varying the percentage load ratio of SNNPs and rGO, six different nanocomposites namely, SNNPR-1, SNNPR-2, SNNPR-3, SNNPR-4, SNNPR-5 and SNNPR-6 were produced. They were thoroughly characterized through spectroscopic and microscopic techniques. The electrochemical analysis of all the SNNPs based electrode materials were examined through cyclic voltammetry (CV), Galvanostatic charge-discharge (GCD) and Electrochemical Impedance spectroscopy (EIS). Among these six electrode materials, the SNNPR-3 produces a maximum specific capacitance (Csp) of 225 mAh g-1 (1624 F g-1) in three-electrode assembly at 1 A g-1 and retaining a cycle stability of 94% up to 1000 cycles. Based on the superiority of SNNPR-3, an asymmetric supercapacitor (ASC) was fabricated with SNNPR-3 as cathode and Activated carbon (AC) as anode (SNNPR-3//AC). On through electrochemical performance, the present ASC yielded a specific capacitance, Csp of 264 F g\"-1\" , high energy density of 62.3 Wh Kg\"-1\" and power density of 2600 W kg\"-1\" . The device exhibited 80.02% of retention capacitance even after 5000 cycles. Also, SNNPR-3//AC was able to illuminate a green-light emitting diode. Therefore, this asymmetric energy storage device has enormous potential for practical application in the future.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"3 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766618","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}
Pub Date : 2025-04-03DOI: 10.1016/j.apsusc.2025.163158
Qiangli Lv, Haoran Guo, Duo Xu, Yuling Zhai, Hua Wang, Tao Zhu, Xing Zhu, Kongzhai Li, Zhihong Yang, Zhishan Li
The urea oxidation reaction (UOR) is considered as an alternative to the oxygen evolution reaction for high-efficiency hydrogen production, because it can simultaneously achieve wastewater treatment and hydrogen production. However, the slow kinetics of the UOR hinder its widespread adoption due to relatively complex molecule, it is urgent to rational design and preparation of high-performance UOR catalysts. Herein, we report a simple synthesis of the NiMn-LDH@Rh(OH)3 heterostructure and a systematic investigation of urea-assisted electrolytic hydrogen production， significantly enhances the efficiency of urea electrolysis. The amorphous Rh(OH)3 structure provides a higher density of active sites and greater catalytic surface exposure, while the synergistic interaction between Rh(OH)3 and NiMn-LDH improves both electrical conductivity and catalytic performance. The catalyst of NiMn-LDH@Rh(OH)3–3 requires only 1.29 V overpotential to achieve a current density of 10 mA cm−2 in a 1.0 M KOH and 0.33 M urea solution, surpassing other catalysts. Furthermore, it demonstrates remarkable stability with minimal potential increase during 48-hour chronopotentiometric tests at 100 mA cm−2. This work making the developed strategy promising for the rational design of highly active electrocatalysts for green hydrogen production and the treatment of urea-rich wastewater.
{"title":"Interfacial engineering of NiMn-LDH@Rh(OH)3 Heterojunctions for Promoted electrocatalytic urea oxidation","authors":"Qiangli Lv, Haoran Guo, Duo Xu, Yuling Zhai, Hua Wang, Tao Zhu, Xing Zhu, Kongzhai Li, Zhihong Yang, Zhishan Li","doi":"10.1016/j.apsusc.2025.163158","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163158","url":null,"abstract":"The urea oxidation reaction (UOR) is considered as an alternative to the oxygen evolution reaction for high-efficiency hydrogen production, because it can simultaneously achieve wastewater treatment and hydrogen production. However, the slow kinetics of the UOR hinder its widespread adoption due to relatively complex molecule, it is urgent to rational design and preparation of high-performance UOR catalysts. Herein, we report a simple synthesis of the NiMn-LDH@Rh(OH)<sub>3</sub> heterostructure and a systematic investigation of urea-assisted electrolytic hydrogen production， significantly enhances the efficiency of urea electrolysis. The amorphous Rh(OH)<sub>3</sub> structure provides a higher density of active sites and greater catalytic surface exposure, while the synergistic interaction between Rh(OH)<sub>3</sub> and NiMn-LDH improves both electrical conductivity and catalytic performance. The catalyst of NiMn-LDH@Rh(OH)<sub>3</sub>–3 requires only 1.29 V overpotential to achieve a current density of 10 mA cm<sup>−2</sup> in a 1.0 M KOH and 0.33 M urea solution, surpassing other catalysts. Furthermore, it demonstrates remarkable stability with minimal potential increase during 48-hour chronopotentiometric tests at 100 mA cm<sup>−2</sup>. This work making the developed strategy promising for the rational design of highly active electrocatalysts for green hydrogen production and the treatment of urea-rich wastewater.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"62 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766640","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}
Jaeeun Yoon, Ki Hong Park, Seungjun Lee, Taehee Kim, Gwan Hyun Choi, Albert S. Lee, Seon Joon Kim, Chong Min Koo, Taegon Oh
Aqueous hydrofluoric acid (HF)-based solutions are widely used for etching MAX phases to synthesize high-purity 2D molybdenum carbides (MXenes). However, their applicability is limited to selected MAX phases, and the production of certain MXenes, such as Mo-based MXenes, remains challenging owing to low quality, low yield, and the time-intensive process, often requiring several days to weeks. In this study, a non-aqueous etchant for faster and more efficient synthesis of high-purity Mo-based MXenes is introduced. This etchant, containing Cl− and F− ions, is adequately effective to etch the MAX phase using the F− ions of moderate concentration regenerated from GaF63− byproducts but only mildly caustic to prevent damage to the resulting MXene. Using this approach, the rapid production of Mo2CTx is demonstrated within 24 h at 100 °C, achieving up to 90% multilayer and 45% monolayer yields. Furthermore, the resulting monolayer Mo2CTx flake exhibits larger sizes and fewer defects, with an electrical conductivity of 5.9 S cm−1, 6.5 times higher than that (0.9 S cm−1) of aqueous HF-Mo2CTx. This enhancement results in improved electrocatalytic activity of high-purity Mo2CTx for hydrogen evolution reactions. These findings highlight the potential of non-aqueous etching solutions to address the limitations of HF-based MXene synthesis.
{"title":"Advancing Non-Aqueous Etching Strategy for Swift and High-Yield Synthesis of 2D Molybdenum Carbides (MXenes)","authors":"Jaeeun Yoon, Ki Hong Park, Seungjun Lee, Taehee Kim, Gwan Hyun Choi, Albert S. Lee, Seon Joon Kim, Chong Min Koo, Taegon Oh","doi":"10.1002/smll.202411319","DOIUrl":"https://doi.org/10.1002/smll.202411319","url":null,"abstract":"Aqueous hydrofluoric acid (HF)-based solutions are widely used for etching MAX phases to synthesize high-purity 2D molybdenum carbides (MXenes). However, their applicability is limited to selected MAX phases, and the production of certain MXenes, such as Mo-based MXenes, remains challenging owing to low quality, low yield, and the time-intensive process, often requiring several days to weeks. In this study, a non-aqueous etchant for faster and more efficient synthesis of high-purity Mo-based MXenes is introduced. This etchant, containing Cl<sup>−</sup> and F<sup>−</sup> ions, is adequately effective to etch the MAX phase using the F<sup>−</sup> ions of moderate concentration regenerated from GaF<sub>6</sub><sup>3−</sup> byproducts but only mildly caustic to prevent damage to the resulting MXene. Using this approach, the rapid production of Mo<sub>2</sub>CT<i><sub>x</sub></i> is demonstrated within 24 h at 100 °C, achieving up to 90% multilayer and 45% monolayer yields. Furthermore, the resulting monolayer Mo<sub>2</sub>CT<i><sub>x</sub></i> flake exhibits larger sizes and fewer defects, with an electrical conductivity of 5.9 S cm<sup>−1</sup>, 6.5 times higher than that (0.9 S cm<sup>−1</sup>) of aqueous HF-Mo<sub>2</sub>CT<i><sub>x</sub></i>. This enhancement results in improved electrocatalytic activity of high-purity Mo<sub>2</sub>CT<i><sub>x</sub></i> for hydrogen evolution reactions. These findings highlight the potential of non-aqueous etching solutions to address the limitations of HF-based MXene synthesis.","PeriodicalId":228,"journal":{"name":"Small","volume":"62 1","pages":""},"PeriodicalIF":13.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766867","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}
Wenqi Li, Yingdong Chen, Tao Chen, Jing Zhao, Qianjin Zhang, Wei Chen, Mingchang Zhang, Haitao Gu, Jiajun Fu
Silicon microparticle (SiMP) anodes are promising candidates for lithium-ion and post lithium-ion batteries owing to its less interfacial reactions and higher tap density than nanostructured silicon anodes. However, the intractable volume expansion/contraction of micro-sized silicon upon cycling results in severe particle pulverization/disintegration and unstable solid-electrolyte interphase. Binders play an essential role in dissipating huge mechanical stress and promoting the lithium-ion diffusion kinetics of silicon anodes. Herein, we design a mechanoresponsive dual cross-linking elastomeric network that incorporates a supramolecular zwitterionic reorganizable network into the hydrogen-bonded polyacrylic acid network to stabilize the interphase and improve cycling stability of silicon microparticle anodes. Such dual-network design enables effective stress dissipation and spontaneous crack repair via sequential dissociation of weak supramolecular zwitterionic interaction and strong dimeric H-bonds of zwitterions upon repeated lithiation/delithiation. Benefiting from these merits, the resultant SiMP anodes using the mechanoresponsive elastomeric binder exhibits a high reversible capacity of 1625.1 mAh g−1 at 2.0 A g−1 after 400 cycles. The assembled full cells with LiNi0.8Mn0.1Co0.1O2 cathodes afford a reversible capacity of 105.2 mAh g−1 after 100 cycles. This work demonstrates the great potential of mechanoresponsive elastomeric binder in developing state-of-the-art high-performance silicon microparticle anodes toward high-energy-density lithium-battery applications.
{"title":"Mechanoresponsive Elastomeric Binder Toughened by Supramolecular Zwitterionic Network for Silicon Microparticle Anodes†","authors":"Wenqi Li, Yingdong Chen, Tao Chen, Jing Zhao, Qianjin Zhang, Wei Chen, Mingchang Zhang, Haitao Gu, Jiajun Fu","doi":"10.1039/d4ta08921a","DOIUrl":"https://doi.org/10.1039/d4ta08921a","url":null,"abstract":"Silicon microparticle (SiMP) anodes are promising candidates for lithium-ion and post lithium-ion batteries owing to its less interfacial reactions and higher tap density than nanostructured silicon anodes. However, the intractable volume expansion/contraction of micro-sized silicon upon cycling results in severe particle pulverization/disintegration and unstable solid-electrolyte interphase. Binders play an essential role in dissipating huge mechanical stress and promoting the lithium-ion diffusion kinetics of silicon anodes. Herein, we design a mechanoresponsive dual cross-linking elastomeric network that incorporates a supramolecular zwitterionic reorganizable network into the hydrogen-bonded polyacrylic acid network to stabilize the interphase and improve cycling stability of silicon microparticle anodes. Such dual-network design enables effective stress dissipation and spontaneous crack repair via sequential dissociation of weak supramolecular zwitterionic interaction and strong dimeric H-bonds of zwitterions upon repeated lithiation/delithiation. Benefiting from these merits, the resultant SiMP anodes using the mechanoresponsive elastomeric binder exhibits a high reversible capacity of 1625.1 mAh g−1 at 2.0 A g−1 after 400 cycles. The assembled full cells with LiNi0.8Mn0.1Co0.1O2 cathodes afford a reversible capacity of 105.2 mAh g−1 after 100 cycles. This work demonstrates the great potential of mechanoresponsive elastomeric binder in developing state-of-the-art high-performance silicon microparticle anodes toward high-energy-density lithium-battery applications.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"6 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766895","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}
Kaili Li, Weixin Chen, Mingqiu Duan, Zhiling Liu, Dilxat Muhtar, Xiangjie Yang, Kai Ning, Fangyan Xie, Xia Lu
Although layered oxides of LiNixCoyMnzO2 (NCM, x + y + z = 1) are promising high energy density cathode materials, they still face significant challenges such as the cracks caused by anisotropic strain and poor structural and thermal stability upon building high-performance rechargeable lithium-ion batteries (LIBs) for scale-up industrialization. Under this circumstance, the La and Mg elements are theoretically and experimentally introduced into the layered NCM cathode to modify the primary particles synergistically by the lattice orientation regulation and surface perovskite-phase coating. The synthesized La/Mg co-doped NCM cathode delivers a discharge-specific capacity of 203 mAh g−1 at 0.1 C and 126.2 mAh g−1 at 10 C (1C = 200 mA g−1), which results from the radial grain orientation by incorporating trace amount of dopants, as well as the enhancements on both ionic and electronic conductivities. Further analysis discloses the formation of the La-based perovskite protective layer on the surface, which plays a key role in stabilizing the lattice oxygen ions upon cycling and increasing both structural and thermal stabilities of the cathode. This one-step co-doping strategy provides a rewarding avenue toward developing practical NCM cathodes and high-performance, durable rechargeable Li batteries.
{"title":"Co-Doping Engineered High Performance Ni-Rich Layered Cathode","authors":"Kaili Li, Weixin Chen, Mingqiu Duan, Zhiling Liu, Dilxat Muhtar, Xiangjie Yang, Kai Ning, Fangyan Xie, Xia Lu","doi":"10.1002/smll.202502152","DOIUrl":"https://doi.org/10.1002/smll.202502152","url":null,"abstract":"Although layered oxides of LiNi<sub>x</sub>Co<sub>y</sub>Mn<sub>z</sub>O<sub>2</sub> (NCM, x + y + z = 1) are promising high energy density cathode materials, they still face significant challenges such as the cracks caused by anisotropic strain and poor structural and thermal stability upon building high-performance rechargeable lithium-ion batteries (LIBs) for scale-up industrialization. Under this circumstance, the La and Mg elements are theoretically and experimentally introduced into the layered NCM cathode to modify the primary particles synergistically by the lattice orientation regulation and surface perovskite-phase coating. The synthesized La/Mg co-doped NCM cathode delivers a discharge-specific capacity of 203 mAh g<sup>−1</sup> at 0.1 C and 126.2 mAh g<sup>−1</sup> at 10 C (1C = 200 mA g<sup>−1</sup>), which results from the radial grain orientation by incorporating trace amount of dopants, as well as the enhancements on both ionic and electronic conductivities. Further analysis discloses the formation of the La-based perovskite protective layer on the surface, which plays a key role in stabilizing the lattice oxygen ions upon cycling and increasing both structural and thermal stabilities of the cathode. This one-step co-doping strategy provides a rewarding avenue toward developing practical NCM cathodes and high-performance, durable rechargeable Li batteries.","PeriodicalId":228,"journal":{"name":"Small","volume":"33 1","pages":""},"PeriodicalIF":13.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143767039","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}
In modern architecture, windows are increasingly employed as curtain wall structures, playing a critical approach in regulating indoor environments to reduce building energy consumption. Meanwhile, the demands for transparency and flame retardancy present significant challenges in guaranteeing people's privacy and safety. In response, a two-layer “smart window” is designed to achieve thermal management, privacy protection, and fire safety, through leveraging the photo-thermal effect of MXene nanosheets, the phase change characteristic of fatty alcohol, and the flame-retardant effect of tetrabromobisphenol A (TBBPA). In the daytime, MXene not only absorbs solar energy to mitigate its heating effect on indoor temperatures and achieve an average decrease of ≈4.2 °C but also facilitates the melting of fatty alcohol to provide optimal daylighting conditions (transmissivity of 65.0%). In the nighttime, the solidified fatty alcohol prevents light transmittance (modulation of 30.6%) and significantly enhances the light deviation to protect personal privacy. Besides, TBBPA dissolved in fatty alcohol effectively enhances the fire safety performance of “smart windows” without sacrificing the transparency. Most importantly, the manufacturing approach is extremely simple to present significant advantages compared to other “smart windows”, promoting its practical application in emerging buildings in terms of energy saving, privacy protection, and fire safety.
{"title":"Fatty Alcohol-Based “Smart Windows” Driven by Photo-Thermal Materials Toward Thermal Management in Hot Regions and High Fire Safety","authors":"Wei Cai, Tianyang Cui, Liangyuan Qi, Junling Wang, Wei Wang, Chengfei Cao, Shuo Shi, Xin Hu, Mohammad Ziaur Rahman, Weiyi Xing, De-Yi Wang, Bin Fei","doi":"10.1002/smll.202501540","DOIUrl":"https://doi.org/10.1002/smll.202501540","url":null,"abstract":"In modern architecture, windows are increasingly employed as curtain wall structures, playing a critical approach in regulating indoor environments to reduce building energy consumption. Meanwhile, the demands for transparency and flame retardancy present significant challenges in guaranteeing people's privacy and safety. In response, a two-layer “smart window” is designed to achieve thermal management, privacy protection, and fire safety, through leveraging the photo-thermal effect of MXene nanosheets, the phase change characteristic of fatty alcohol, and the flame-retardant effect of tetrabromobisphenol A (TBBPA). In the daytime, MXene not only absorbs solar energy to mitigate its heating effect on indoor temperatures and achieve an average decrease of ≈4.2 °C but also facilitates the melting of fatty alcohol to provide optimal daylighting conditions (transmissivity of 65.0%). In the nighttime, the solidified fatty alcohol prevents light transmittance (modulation of 30.6%) and significantly enhances the light deviation to protect personal privacy. Besides, TBBPA dissolved in fatty alcohol effectively enhances the fire safety performance of “smart windows” without sacrificing the transparency. Most importantly, the manufacturing approach is extremely simple to present significant advantages compared to other “smart windows”, promoting its practical application in emerging buildings in terms of energy saving, privacy protection, and fire safety.","PeriodicalId":228,"journal":{"name":"Small","volume":"18 1","pages":""},"PeriodicalIF":13.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143767102","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}
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