Chemistry of Materials最新文献

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Correction to “Excitons and Singlet Fission at the Crystalline Tetracene–Silicon Interface” 更正 "四碳-硅晶体界面上的激子和单子裂变"
IF 8.6 2区 材料科学
Chemistry of Materials Pub Date : 2024-07-12 DOI: 10.1021/acs.chemmater.4c01717
Mykhailo V. Klymenko, Liang. Z. Tan, Salvy. P. Russo, Jared. H. Cole
{"title":"Correction to “Excitons and Singlet Fission at the Crystalline Tetracene–Silicon Interface”","authors":"Mykhailo V. Klymenko, Liang. Z. Tan, Salvy. P. Russo, Jared. H. Cole","doi":"10.1021/acs.chemmater.4c01717","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c01717","url":null,"abstract":"In the original paper, (1) the reaction equations in eqs 1, 13, and 14 were unbalanced due to the typographic omission of an <i>S</i><sub>0</sub> and should in fact read: This mistake does not affect the main results and conclusions of the paper. This article references 1 other publications. This article has not yet been cited by other publications. This article references 1 other publications.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":null,"pages":null},"PeriodicalIF":8.6,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141597515","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}
引用次数: 0
Organic Molecular Glues to Design Three-Dimensional Cubic Nano-assemblies of Magnetic Nanoparticles 用有机分子胶水设计三维立方纳米磁性纳米粒子组装体
IF 8.6 2区 材料科学
Chemistry of Materials Pub Date : 2024-07-11 DOI: 10.1021/acs.chemmater.4c00770
Mohammad Suman Chowdhury, Daniel Arenas Esteban, Rabia Amin, Claudia Román-Freijeiro, Enja Laureen Rösch, Markus Etzkorn, Meinhard Schilling, Frank Ludwig, Sara Bals, Verónica Salgueiriño, Aidin Lak
{"title":"Organic Molecular Glues to Design Three-Dimensional Cubic Nano-assemblies of Magnetic Nanoparticles","authors":"Mohammad Suman Chowdhury, Daniel Arenas Esteban, Rabia Amin, Claudia Román-Freijeiro, Enja Laureen Rösch, Markus Etzkorn, Meinhard Schilling, Frank Ludwig, Sara Bals, Verónica Salgueiriño, Aidin Lak","doi":"10.1021/acs.chemmater.4c00770","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c00770","url":null,"abstract":"Self-assembled magnetic nanoparticles offer next-generation materials that allow harnessing of their physicochemical properties for many applications. However, how three-dimensional nanoassemblies of magnetic nanoparticles can be synthesized in one-pot synthesis without excessive postsynthesis processes is still a bottleneck. Here, we propose a panel of small organic molecules that glue nanoparticle crystallites during the growth of particles to form large nanoassembled nanoparticles (NANs). We find that both carbonyl and carboxyl functional groups, presenting in benzaldehyde and benzoic acid, respectively, are needed to anchor with metal ions, while aromatic rings are needed to create NANs through π–π stacking. When benzyl alcohol, lacking carbonyl and carboxyl groups, is employed, no NANs are formed. NANs formed by benzoic acid reveal a unique combination of high magnetization and coercivity, whereas NANs formed by benzaldehyde show the largest exchange bias reported in nanoparticles. Surprisingly, our NANs show unconventional colloidal stability due to their unique nanoporous architectures.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":null,"pages":null},"PeriodicalIF":8.6,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141597516","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}
引用次数: 0
Incorporation of Alkali Ions into Hydrated Copper Hexacyanoferrate by Density Functional Theory Calculations 通过密度泛函理论计算碱离子与水合六氰基铁酸铜的结合
IF 8.6 2区 材料科学
Chemistry of Materials Pub Date : 2024-07-11 DOI: 10.1021/acs.chemmater.4c00282
Ximeng Wang, An Tien Ta, Stéphen Quemerais, Agnès Grandjean, Hans-Conrad zur Loye, Simon R. Phillpot
{"title":"Incorporation of Alkali Ions into Hydrated Copper Hexacyanoferrate by Density Functional Theory Calculations","authors":"Ximeng Wang, An Tien Ta, Stéphen Quemerais, Agnès Grandjean, Hans-Conrad zur Loye, Simon R. Phillpot","doi":"10.1021/acs.chemmater.4c00282","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c00282","url":null,"abstract":"Copper hexacyanoferrate (Cu-HCF) has been shown to be a good candidate for selectively sequestrating radioactive Cs. Cu-HCF is usually hydrated with water molecules. The water molecules that are typically incorporated into the framework can be categorized as coordinated water molecules, which bond to a specific atom, and zeolitic water molecules which, while penetrating the framework structure, are not chemically bonded to it. Here, we use density functional theory calculations to probe the distribution of water in hydrated Cu-HCF, the thermodynamics of the incorporation of alkali ions, and the exchange of Na<sup>+</sup> and K<sup>+</sup> ions by Cs<sup>+</sup> ions. We find that the largest number of water molecules that can be incorporated into a unit cell of Cu-HCF is 16 with the balance between coordinated and zeolitic water molecules depending on the number of water molecules in the Cu-HCF framework. We also find that hydration enhances incorporation of alkali ions compared to nonhydrated Cu-HCF.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":null,"pages":null},"PeriodicalIF":8.6,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141597517","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}
引用次数: 0
Room Temperature Charge Density Wave in a Tetragonal Polymorph of Gd2Os3Si5 and Study of Its Origin in the RE2T3X5 (RE = Rare Earth, T = Transition Metal, X = Si, Ge) Series Gd2Os3Si5 四方多晶体中的室温电荷密度波及其在 RE2T3X5(RE = 稀土,T = 过渡金属,X = 硅、锗)系列中的起源研究
IF 8.6 2区 材料科学
Chemistry of Materials Pub Date : 2024-07-11 DOI: 10.1021/acs.chemmater.4c00925
Vikash Sharma, Sitaram Ramakrishnan, Jayakrishnan SS, Surya Rohith Kotla, Bishal Maiti, Claudio Eisele, Harshit Agarwal, Leila Noohinejad, Martin Tolkiehn, Dipanshu Bansal, Sander van Smaalen, Thamizhavel Arumugam
{"title":"Room Temperature Charge Density Wave in a Tetragonal Polymorph of Gd2Os3Si5 and Study of Its Origin in the RE2T3X5 (RE = Rare Earth, T = Transition Metal, X = Si, Ge) Series","authors":"Vikash Sharma, Sitaram Ramakrishnan, Jayakrishnan SS, Surya Rohith Kotla, Bishal Maiti, Claudio Eisele, Harshit Agarwal, Leila Noohinejad, Martin Tolkiehn, Dipanshu Bansal, Sander van Smaalen, Thamizhavel Arumugam","doi":"10.1021/acs.chemmater.4c00925","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c00925","url":null,"abstract":"Charge density wave (CDW) systems are proposed to exhibit application potential for electronic and optoelectronic devices. However, CDWs often develop at cryogenic temperatures, which hinders their applications. Therefore, identifying new materials that exhibit a CDW state at room temperature is crucial for the development of CDW-based devices. Here, we present a nonlayered tetragonal polymorph of Gd<sub>2</sub>Os<sub>3</sub>Si<sub>5</sub>, which exhibits a CDW state at room temperature. Gd<sub>2</sub>Os<sub>3</sub>Si<sub>5</sub> assumes the tetragonal Sc<sub>2</sub>Fe<sub>3</sub>Si<sub>5</sub> structure type with the space group <i>P</i>4/<i>mnc</i>. Single-crystal X-ray diffraction (SXRD) analysis shows that Gd<sub>2</sub>Os<sub>3</sub>Si<sub>5</sub> possesses an incommensurately modulated structure with modulation wave vector <b>q</b> = (0.53, 0, 0), while the modulation reduces the symmetry to orthorhombic <i>Cccm</i>(σ00)0<i>s</i>0. This differs from isostructural Sm<sub>2</sub>Ru<sub>3</sub>Ge<sub>5</sub>, where the modulated phase has been reported to possess monoclinic symmetry <i>Pm</i>(α0γ)0. Reinvestigation of Sm<sub>2</sub>Ru<sub>3</sub>Ge<sub>5</sub> suggests that its modulated crystal structure can alternatively be described by <i>Cccm</i>(σ00)0<i>s</i>0, with modulations similar to Gd<sub>2</sub>Os<sub>3</sub>Si<sub>5</sub>. The temperature-dependent magnetic susceptibility indicates an antiferromagnetic transition at <i>T</i><sub>N</sub> ≈ 5.5 K. Furthermore, it shows an anomaly at around 345 K, suggesting a CDW transition at <i>T</i><sub>CDW</sub> = 345 K, in agreement with high-temperature SXRD measurements. The temperature-dependent electrical resistivity has a maximum at a lower temperature, which we nevertheless identify with the CDW transition and can be described as an insulator-to-metal transition. The calculated electronic band structure indicates q-dependent electron–phonon coupling as the dominant mechanism of CDW formation in tetragonal Gd<sub>2</sub>Os<sub>3</sub>Si<sub>5</sub>. The modulated structure then indicates a major involvement of the Si2a atom in the CDW modulations. Compounds <i>RE</i><sub>2</sub><i>T</i><sub>3</sub><i>X</i><sub>5</sub> (<i>RE</i> = rare earth, <i>T</i> = transition metal, <i>X</i> = Si, Ge) have been reported with either the tetragonal Sc<sub>2</sub>Fe<sub>3</sub>Si<sub>5</sub> structure type or the orthorhombic U<sub>2</sub>Co<sub>3</sub>Si<sub>5</sub> structure type. Not all of these compounds undergo CDW phase transitions. We find that <i>RE</i><sub>2</sub><i>T</i><sub>3</sub><i>X</i><sub>5</sub> compounds will exhibit a CDW transition if the condition <i></i><span style=\"color: inherit;\"><span><span>0.526</span><span style=\"margin-left: 0.333em; margin-right: 0.333em;\">&lt;</span><span>c</span><span style=\"margin-left: 0.111em; margin-right: 0.111em;\">/</span><span><span><span style=\"font-size: 134%; margin-top: 0.104em;\">√</span></span><span><span style=\"border-top: 0.08em solid;\"></s","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":null,"pages":null},"PeriodicalIF":8.6,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141597556","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}
引用次数: 0
Advancing the Performance of Lithium-Rich Oxides in Concert with Inherent Complexities: Domain-Selective Substitutions 结合内在复杂性提高富锂氧化物的性能:领域选择性替代
IF 8.6 2区 材料科学
Chemistry of Materials Pub Date : 2024-07-10 DOI: 10.1021/acs.chemmater.4c00415
Arturo Gutierrez, Subhadip Mallick, Chun Yuen Kwok, Yulin Lin, Fulya Dogan, Jianguo Wen, Mahalingam Balasubramanian, Jason R. Croy
{"title":"Advancing the Performance of Lithium-Rich Oxides in Concert with Inherent Complexities: Domain-Selective Substitutions","authors":"Arturo Gutierrez, Subhadip Mallick, Chun Yuen Kwok, Yulin Lin, Fulya Dogan, Jianguo Wen, Mahalingam Balasubramanian, Jason R. Croy","doi":"10.1021/acs.chemmater.4c00415","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c00415","url":null,"abstract":"Historically, modifications to Li- and Mn-rich (LMR) cathodes have been studied in relation to their efficacy in solving challenges such as oxygen loss and voltage fade, which are inherent to the activation process of these electrodes. However, even in the presence of these phenomena, well-optimized LMR cathodes show considerable promise as earth-abundant options, particularly if other barriers to implementation can be overcome or mitigated. As the complex mechanisms of LMR electrodes are known to stem from the local, chemical inhomogeneities that define the nanocomposite domain nature of these oxides, strategies aimed at manipulating the performance of activated electrodes, irrespective of voltage fade, through domain-selective modifications, could prove instructive. Herein, we use a novel synthesis process aimed at influencing the site occupancy of substituted Sn<sup>4+</sup>, as an example 4+ cation, into a Co-free Li<sub>1.13</sub>Mn<sub>0.57(1–<i>x</i>)</sub>Sn<sub>0.57<i>x</i></sub>Ni<sub>0.3</sub>O<sub>2</sub> LMR oxide. We show that Sn<sup>4+</sup> can be selectively substituted into Li-rich environments. The consequences are revealed to be both chemical and morphological, and the domain-selective doping strategy provides a knob for directed control of the low state-of-charge impedance behavior. These results reveal new clues and insights with respect to further advancing the practical relevance of LMR cathode particles and electrodes.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":null,"pages":null},"PeriodicalIF":8.6,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141578094","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}
引用次数: 0
Antiferromagnetic Ordering in the Frustrated Rare-Earth Chain Systems M2Cl3 (M = Gd, Tb) 受挫稀土链系统 M2Cl3(M = 钆、铽)中的反铁磁有序性
IF 8.6 2区 材料科学
Chemistry of Materials Pub Date : 2024-07-10 DOI: 10.1021/acs.chemmater.4c01317
Reinhard K. Kremer, Walter Schnelle, Roland Eger, Arndt Simon, P. Jane Brown, Bachir Ouladdiaf, Klaus-Ulrich Neumann
{"title":"Antiferromagnetic Ordering in the Frustrated Rare-Earth Chain Systems M2Cl3 (M = Gd, Tb)","authors":"Reinhard K. Kremer, Walter Schnelle, Roland Eger, Arndt Simon, P. Jane Brown, Bachir Ouladdiaf, Klaus-Ulrich Neumann","doi":"10.1021/acs.chemmater.4c01317","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c01317","url":null,"abstract":"The magnetic properties of the two isostructural rare-earth condensed octahedral-cluster chain compounds M<sub>2</sub>Cl<sub>3</sub> (M = Gd, Tb) have been investigated by magnetization, heat capacity, and single-crystal neutron diffraction experiments. Both compounds exhibit antiferromagnetic order below ∼23 and ∼43 K for Gd<sub>2</sub>Cl<sub>3</sub> and Tb<sub>2</sub>Cl<sub>3</sub>, respectively. For Gd<sub>2</sub>Cl<sub>3</sub>, the large negative Curie–Weiss temperature of ∼−209 K indicates substantial magnetic frustration. The magnetic moments of Gd at the two different crystallographic atom positions are aligned along the chains. Whereas at ∼14.5 K the magnetic moments at the shared edge approach the theoretically expected spin-only value of ∼7 μ<sub>B</sub>, the moments at the geometrically frustrated apical position of the octahedra are significantly reduced. In Tb<sub>2</sub>Cl<sub>3</sub>, the magnetic moments lie in the plane perpendicular to the chains and are inclined with respect to each other. The Tb cations in the shared edges have a magnetic moment of 9.3 μ<sub>B</sub>, slightly exceeding the maximum value of 9 μ<sub>B</sub> that is expected for Tb<sup>3+</sup> with <i>J</i> = 6 for the Russell–Saunders ground state. Neutron scattering with polarization analysis on a Tb<sub>2</sub>Cl<sub>3</sub> crystal in a magnetic field reveals enhanced polarizability of the Tb moments at the frustrated apical octahedral sites.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":null,"pages":null},"PeriodicalIF":8.6,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141577995","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}
引用次数: 0
Celebrating the Career and Scientific Legacy of Prof. C. N. R. Rao 庆祝 C. N. R. Rao 教授的职业生涯和科学遗产
IF 7.2 2区 材料科学
Chemistry of Materials Pub Date : 2024-07-09 DOI: 10.1021/acs.chemmater.4c01620
D. D. Sarma*, Ashok K. Ganguli*, Bettina V. Lotsch* and Patrick M. Woodward*, 
{"title":"Celebrating the Career and Scientific Legacy of Prof. C. N. R. Rao","authors":"D. D. Sarma*,&nbsp;Ashok K. Ganguli*,&nbsp;Bettina V. Lotsch* and Patrick M. Woodward*,&nbsp;","doi":"10.1021/acs.chemmater.4c01620","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c01620","url":null,"abstract":"","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":null,"pages":null},"PeriodicalIF":7.2,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141565642","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}
引用次数: 0
[B3O3F4(OH)]2–: A Versatile Hydroxyfluorooxoborate Heteroanion Producing Compounds with Highly Tunable Optical Anisotropy [B3O3F4(OH)]2-:一种多功能羟氟氧硼酸异阴离子,可产生具有高度可调光学各向异性的化合物
IF 8.6 2区 材料科学
Chemistry of Materials Pub Date : 2024-07-09 DOI: 10.1021/acs.chemmater.4c01099
Zeen Li, Congcong Jin, Changyou Liu, Juanjuan Lu, Zhihua Yang, Shilie Pan, Miriding Mutailipu
{"title":"[B3O3F4(OH)]2–: A Versatile Hydroxyfluorooxoborate Heteroanion Producing Compounds with Highly Tunable Optical Anisotropy","authors":"Zeen Li, Congcong Jin, Changyou Liu, Juanjuan Lu, Zhihua Yang, Shilie Pan, Miriding Mutailipu","doi":"10.1021/acs.chemmater.4c01099","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c01099","url":null,"abstract":"Structural alteration based on existing molecules is an effective way to study new substances. However, a limited control range results, especially when the band gaps are close together, from the difficulty of achieving high optical anisotropic enhancement in compounds with the same chemical formula as comparable behaviors of cations and anions that have the same organic and inorganic characteristics. This article presents a methodical investigation of the highly versatile hydroxyfluorooxoborate family formulated A<sub>2</sub>[B<sub>3</sub>O<sub>3</sub>F<sub>4</sub>(OH)] (A = monovalent cations), which coordinates various inorganic and organic cations with the identical heteroanionic anion of [B<sub>3</sub>O<sub>3</sub>F<sub>4</sub>(OH)]. We found more than 10 times the optical anisotropy enhancement in this family and validated the anion–anion and tethered–heteroanion interaction for this highly tunable optical anisotropy. Furthermore, it is noted that the recently discovered new member [CN<sub>4</sub>H<sub>7</sub>]<sub>2</sub>[B<sub>3</sub>O<sub>3</sub>F<sub>4</sub>(OH)] achieved a well-balanced optical property with a short deep-ultraviolet cutoff edge and strong birefringence. Our results confirm that it is feasible to achieve highly tunable optical anisotropy in compounds with identical molecular formulas.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":null,"pages":null},"PeriodicalIF":8.6,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141577996","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}
引用次数: 0
Boronate Ester Hydrogels for Biomedical Applications: Challenges and Opportunities 用于生物医学应用的硼酸酯水凝胶:挑战与机遇
IF 8.6 2区 材料科学
Chemistry of Materials Pub Date : 2024-07-09 DOI: 10.1021/acs.chemmater.4c00507
Léa Terriac, Jean-Jacques Helesbeux, Yves Maugars, Jérôme Guicheux, Mark W. Tibbitt, Vianney Delplace
{"title":"Boronate Ester Hydrogels for Biomedical Applications: Challenges and Opportunities","authors":"Léa Terriac, Jean-Jacques Helesbeux, Yves Maugars, Jérôme Guicheux, Mark W. Tibbitt, Vianney Delplace","doi":"10.1021/acs.chemmater.4c00507","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c00507","url":null,"abstract":"Boronate ester (BE) hydrogels are increasingly used for biomedical applications. The dynamic nature of these molecular networks enables bond rearrangement, which is associated with viscoelasticity, injectability, printability, and self-healing, among other properties. BEs are also sensitive to pH, redox reactions, and the presence of sugars, which is useful for the design of stimuli-responsive materials. Together, BE hydrogels are interesting scaffolds for use in drug delivery, 3D cell culture, and biofabrication. However, designing stable BE hydrogels at physiological pH (≈7.4) remains a challenge, which is hindering their development and biomedical application. In this context, advanced chemical insights into BE chemistry are being used to design new molecular solutions for material fabrication. This review article summarizes the state of the art in BE hydrogel design for biomedical applications with a focus on the materials chemistry of this class of materials. First, we discuss updated knowledge in BE chemistry including details on the molecular mechanisms associated with BE formation and breakage. Then, we discuss BE hydrogel formation at physiological pH, with an overview of the main systems reported to date along with new perspectives. A last section covers several prominent biomedical applications of BE hydrogels, including drug delivery, 3D cell culture, and bioprinting, with critical insights on the design relevance, limitations and potential.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":null,"pages":null},"PeriodicalIF":8.6,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141577994","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}
引用次数: 0
Data-Driven High-Throughput Screening and Experimental Realization of Ag2B(IV)B′(VI)O6 under Negative Chemical-Pressure 负化学压力下 Ag2B(IV)B′(VI)O6 的数据驱动型高通量筛选和实验实现
IF 8.6 2区 材料科学
Chemistry of Materials Pub Date : 2024-07-09 DOI: 10.1021/acs.chemmater.4c00300
Zhongxiong Sun, Jinjin Yang, Yifeng Han, Man-Rong Li
{"title":"Data-Driven High-Throughput Screening and Experimental Realization of Ag2B(IV)B′(VI)O6 under Negative Chemical-Pressure","authors":"Zhongxiong Sun, Jinjin Yang, Yifeng Han, Man-Rong Li","doi":"10.1021/acs.chemmater.4c00300","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c00300","url":null,"abstract":"Harsh synthetic conditions and high cost seriously hinder the discoveries of metastable materials under extreme conditions. Extending the big-data-driven high-throughput calculation (HTC) to depict the chemically negative pressure (NP) zone enables the creation of efficient and accurate prediction models over the full pressure range. This approach significantly expedites the exploration and discovery of novel multifunctional metastable materials. Here, double perovskites Ag<sub>2</sub><i>B</i>(IV)<i>B</i><b>′</b>(VI)O<sub>6</sub> were adopted to illustrate the comprehensive process of big-data-mining, HTC, and experimental realization under chemically NP. High-throughput screening of 32 Ag<sub>2</sub><i>BB</i><b>′</b>O<sub>6</sub> compounds, encompassing 9 possible crystal structures and 23 derived magnetic structures, resulting in 1024 potential candidates. Ag<sub>2</sub>MnTeO<sub>6</sub> (AMTO) and Ag<sub>2</sub>TiTeO<sub>6</sub> (ATTO) were selected for the experimental validation. We captured a new polymorph of AMTO (<i>R</i>-3, 3<i>R</i>) at ambient pressure through ion-exchange reaction, a phase theoretically predicted to be stable under NP about −6.6 GPa. Moreover, as predicted by density functional theory calculations, the <i>P</i>-31<i>c</i> (2<i>H</i>) AMTO is an antiferromagnetic semiconductor with magnetic transition at 3 K and direct band gap ∼0.97 eV. This work is expected to guide the exploration of hidden metastable phase by providing a methodological framework and novel conceptual approach for future research.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":null,"pages":null},"PeriodicalIF":8.6,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141561814","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}
引用次数: 0
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