Chemistry of Materials最新文献_第7页

Synergistically Efficient Ni/Nb Dual Single-Atomic Sites on N-Doped Carbon for Highly Efficient and Durable Oxygen Electrocatalysis 氮掺杂碳上协同高效的Ni/Nb双单原子位用于高效持久的氧电催化

IF 8.6 2区材料科学

Chemistry of Materials Pub Date : 2025-05-07 DOI: 10.1021/acs.chemmater.5c00779

Jian Zhang, Yaguo Fang, Yonghua Li, Huajie Huang, Jin Li, Wei Chen, Yan Cui, Xing’ao Li, Xinbao Zhu

{"title":"Synergistically Efficient Ni/Nb Dual Single-Atomic Sites on N-Doped Carbon for Highly Efficient and Durable Oxygen Electrocatalysis","authors":"Jian Zhang, Yaguo Fang, Yonghua Li, Huajie Huang, Jin Li, Wei Chen, Yan Cui, Xing’ao Li, Xinbao Zhu","doi":"10.1021/acs.chemmater.5c00779","DOIUrl":"https://doi.org/10.1021/acs.chemmater.5c00779","url":null,"abstract":"With flexible charge modulation and high atom utilization, dual-atom catalysts (DSACs) have shown promise in various electrocatalytic reactions for energy conversion applications. Herein, we synthesize an asymmetrical Ni/Nb dual single-atom anchored on the porous N-doped carbon framework (Ni/Nb DSA@NC) through a pyrolysis process. The obtained Ni/Nb DSA@NC dimer delivers an efficient bifunctional electrocatalytic performance in the oxygen reduction reaction (ORR) (E1/2 = 0.952 V) and oxygen evolution reaction (OER) (Ej10 = 1.577 V) in alkaline electrolytes. A series of ex situ and in situ characterizations, combined with the theoretical calculations, suggests that the strong coupling of the adjacent Ni–N4 and Nb–N4 moieties optimized the adsorption–desorption of oxygenated intermediates through adjusting the d-orbital energy level of the Ni atoms, thereby boosting the reaction kinetics of the oxygen electrocatalysis. Interestingly, the more unoccupied orbitals and fewer d electrons of the Nb atom could strengthen the Ni–N bonding and suppress Ni demetalation, guaranteeing impressive durability. Notably, the Ni/Nb DSA@NC-based zinc–air battery (ZABs) and hydroxide exchange membrane fuel cell (HEMFC) provide attractive maximum power densities of 362.1 mW cm–2 and 1.26 W cm–2, respectively. This research offers valuable insight for designing Ni-based DSAs bifunctional oxygen electrocatalysts for the energy conversion process.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":"25 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915613","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

A Tunable Hydrogel Platform Based on Platinum-Containing Polymeric Arsenicals 基于含铂聚合物砷的可调水凝胶平台

IF 7.2 2区材料科学

Chemistry of Materials Pub Date : 2025-05-07 DOI: 10.1021/acs.chemmater.5c0018410.1021/acs.chemmater.5c00184

Alexandros Magiakos, Evelina Liarou, Spyridon Efstathiou, Andrea Dsouza, Chrystala Constantinidou, Marc Walker, Constantinos Methenitis and Paul Wilson*,

{"title":"A Tunable Hydrogel Platform Based on Platinum-Containing Polymeric Arsenicals","authors":"Alexandros Magiakos, Evelina Liarou, Spyridon Efstathiou, Andrea Dsouza, Chrystala Constantinidou, Marc Walker, Constantinos Methenitis and Paul Wilson*, ","doi":"10.1021/acs.chemmater.5c0018410.1021/acs.chemmater.5c00184","DOIUrl":"https://doi.org/10.1021/acs.chemmater.5c00184https://doi.org/10.1021/acs.chemmater.5c00184","url":null,"abstract":"Platinum and arsenic (e.g., cisplatin, As2O3) have been used extensively in modern medicine due to their strong anticancer and antimicrobial activities. Here, polymeric arsenical scaffolds with varying As-functionalized acrylamide monomer (AsAm) composition are combined with PtII giving rise to hydrogels (P1-Pt–P4-Pt) with their properties being dependent on the AsAm content. The nature of the Pt–polymer interaction has been thoroughly investigated by 1H and 195Pt NMR spectroscopy as well as FT-IR, SEM, XPS, and potentiometric titration suggesting that cross-linking occurs primarily via coordination between oxygen atoms of the pendant arsenic acid group and PtII, while secondary noncovalent interactions are proposed to provide further structural integrity and stability. Importantly, the hydrogels demonstrate potential self-healing properties, while the nature of the cross-linking promotes deep penetration of water into the loosely cross-linked networks. Finally, preliminary qualitative antimicrobial evaluation conducted via disk diffusion assay indicates that P4-Pt is active against Gram-negative (uropathogenic Escherichia coli CFT073 and Escherichia coli K12MG1655) and Gram-positive (Bacillus subtilis and Staphylococcus aureus USA 300 JE2) bacterial strains. Overall, the combination of polymeric arsenical scaffolds with PtII results in the formation of cross-linked networks generating soft, strong, and self-healing hydrogels with tunable stiffness and elasticity and preliminary indications of antimicrobial potential.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":"37 10","pages":"3733–3746 3733–3746"},"PeriodicalIF":7.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.chemmater.5c00184","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144137397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Correction to “Thermal Stability of Amorphous Metal Oxides: The Interplay of Secondary Cations, Degree of Substitution and Local Structure” 对“非晶金属氧化物的热稳定性：仲阳离子、取代度和局部结构的相互作用”的修正

IF 7.2 2区材料科学

Chemistry of Materials Pub Date : 2025-05-07 DOI: 10.1021/acs.chemmater.5c0048110.1021/acs.chemmater.5c00481

Li Zeng, D. Bruce Buchholz, Denis T. Keane, Tobin J. Marks*, Julia E. Medvedeva* and Michael J. Bedzyk*,

引用次数: 0

Second-Harmonic Generation Response in Nitridophosphates MP2N4 (M = Ge, Sn, Pb) and the Role of Stereochemically Active Lone Pairs 氮磷酸盐MP2N4 （M = Ge, Sn, Pb）的二次谐波响应及立体化学活性孤对的作用

IF 8.6 2区材料科学

Chemistry of Materials Pub Date : 2025-05-07 DOI: 10.1021/acs.chemmater.5c00109

Xiyue Cheng, Victor Trinquet, Bohan Ding, Gian-Marco Rignanese, Xavier Gonze, Shuiquan Deng

{"title":"Second-Harmonic Generation Response in Nitridophosphates MP2N4 (M = Ge, Sn, Pb) and the Role of Stereochemically Active Lone Pairs","authors":"Xiyue Cheng, Victor Trinquet, Bohan Ding, Gian-Marco Rignanese, Xavier Gonze, Shuiquan Deng","doi":"10.1021/acs.chemmater.5c00109","DOIUrl":"https://doi.org/10.1021/acs.chemmater.5c00109","url":null,"abstract":"The recent synthesis of two noncentrosymmetric (NCS) nitridophosphates, GeP2N4 and Sn6[P12N24], featuring stereochemically active lone pairs (SCALPs), provides an opportunity to explore their role in nonlinear optical (NLO) properties and assess the potential of nitridophosphates for NLO applications. Through high-throughput screening of all nitridophosphate compounds in the Materials Project database and Inorganic Crystal Structure Database, we identify 23 NCS nitridophosphates with nonzero second-harmonic generation (SHG) responses. In comparison, MP2N4 (M = Ge, Sn, Pb) family, in both Pna21 and R3m structures, emerges as the only nitridophosphates that combines significant SHG response and sizable birefringence within a band gap range suitable for infrared NLO applications. First-principles calculations reveal that Pna21 phases of MP2N4 generally exhibit larger SHG responses than the R3m ones and substituting Ge2+ with more polarizable Sn2+ or Pb2+ enhances the SHG response to 4.1 and 7.2 pm/V (∼12 and 22 × KDP), respectively. Our atom response theory analysis indicates that the SHG response is predominantly driven by nonbonding N 2p states, while SCALPs provide a positive but secondary contribution, as the SHG magnitude inversely correlates with SCALP strength. Additionally, we reveal that NaPN2 and HPN2 exhibit impressive SHG response (∼10 × KDP) combined with remarkable band gaps exceeding 6.2 eV, making them promising candidates for ultraviolet (UV) or visible NLO applications. This study sheds light on the mechanisms driving the NLO behavior in MP2N4 and highlights nitridophosphates as a promising platform for developing advanced NLO materials.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":"14 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915553","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

Synergistically Efficient Ni/Nb Dual Single-Atomic Sites on N-Doped Carbon for Highly Efficient and Durable Oxygen Electrocatalysis 氮掺杂碳上协同高效的Ni/Nb双单原子位用于高效持久的氧电催化

IF 7.2 2区材料科学

Chemistry of Materials Pub Date : 2025-05-07 DOI: 10.1021/acs.chemmater.5c0077910.1021/acs.chemmater.5c00779

Jian Zhang*, Yaguo Fang, Yonghua Li, Huajie Huang, Jin Li, Wei Chen*, Yan Cui*, Xing’ao Li and Xinbao Zhu,

{"title":"Synergistically Efficient Ni/Nb Dual Single-Atomic Sites on N-Doped Carbon for Highly Efficient and Durable Oxygen Electrocatalysis","authors":"Jian Zhang*, Yaguo Fang, Yonghua Li, Huajie Huang, Jin Li, Wei Chen*, Yan Cui*, Xing’ao Li and Xinbao Zhu, ","doi":"10.1021/acs.chemmater.5c0077910.1021/acs.chemmater.5c00779","DOIUrl":"https://doi.org/10.1021/acs.chemmater.5c00779https://doi.org/10.1021/acs.chemmater.5c00779","url":null,"abstract":"With flexible charge modulation and high atom utilization, dual-atom catalysts (DSACs) have shown promise in various electrocatalytic reactions for energy conversion applications. Herein, we synthesize an asymmetrical Ni/Nb dual single-atom anchored on the porous N-doped carbon framework (Ni/Nb DSA@NC) through a pyrolysis process. The obtained Ni/Nb DSA@NC dimer delivers an efficient bifunctional electrocatalytic performance in the oxygen reduction reaction (ORR) (E1/2 = 0.952 V) and oxygen evolution reaction (OER) (Ej10 = 1.577 V) in alkaline electrolytes. A series of ex situ and in situ characterizations, combined with the theoretical calculations, suggests that the strong coupling of the adjacent Ni–N4 and Nb–N4 moieties optimized the adsorption–desorption of oxygenated intermediates through adjusting the d-orbital energy level of the Ni atoms, thereby boosting the reaction kinetics of the oxygen electrocatalysis. Interestingly, the more unoccupied orbitals and fewer d electrons of the Nb atom could strengthen the Ni–N bonding and suppress Ni demetalation, guaranteeing impressive durability. Notably, the Ni/Nb DSA@NC-based zinc–air battery (ZABs) and hydroxide exchange membrane fuel cell (HEMFC) provide attractive maximum power densities of 362.1 mW cm–2 and 1.26 W cm–2, respectively. This research offers valuable insight for designing Ni-based DSAs bifunctional oxygen electrocatalysts for the energy conversion process.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":"37 10","pages":"3830–3841 3830–3841"},"PeriodicalIF":7.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144137412","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

Correction to “Thermal Stability of Amorphous Metal Oxides: The Interplay of Secondary Cations, Degree of Substitution and Local Structure” 对“非晶金属氧化物的热稳定性：仲阳离子、取代度和局部结构的相互作用”的修正

IF 8.6 2区材料科学

Chemistry of Materials Pub Date : 2025-05-07 DOI: 10.1021/acs.chemmater.5c00481

Li Zeng, D. Bruce Buchholz, Denis T. Keane, Tobin J. Marks, Julia E. Medvedeva, Michael J. Bedzyk

{"title":"Correction to “Thermal Stability of Amorphous Metal Oxides: The Interplay of Secondary Cations, Degree of Substitution and Local Structure”","authors":"Li Zeng, D. Bruce Buchholz, Denis T. Keane, Tobin J. Marks, Julia E. Medvedeva, Michael J. Bedzyk","doi":"10.1021/acs.chemmater.5c00481","DOIUrl":"https://doi.org/10.1021/acs.chemmater.5c00481","url":null,"abstract":"The correct MRSEC grant number should be DMR-2308691, rather than DMR-230869. The corrected Acknowledgment is below. The authors thank the Northwestern Materials Research Center, NSF MRSEC grants DMR-1720139 and DMR-2308691, for financial support of this work. The X-ray scattering work was performed at the DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) located at Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by Northwestern University, The Dow Chemical Company, and DuPont de Nemours, Inc. This research used resources from the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. This work made use of the Pulsed Laser Deposition Facility of Northwestern University supported by the MRSEC program of the National Science Foundation (DMR-2308691) at the Materials Research Center of Northwestern University and the Soft and Hybrid Nanotechnology Experimental Resource (NSF ECCS-2025633). J.E.M. thanks NSF-DMREF grants DMR-1729779 and DMR-1842467 and DOE grant DE-EE0009346 for support and NSF-MRI grant OAC-1919789 for computational facilities. This article has not yet been cited by other publications.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":"119 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143920787","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

A Tunable Hydrogel Platform Based on Platinum-Containing Polymeric Arsenicals 基于含铂聚合物砷的可调水凝胶平台

IF 8.6 2区材料科学

Chemistry of Materials Pub Date : 2025-05-07 DOI: 10.1021/acs.chemmater.5c00184

Alexandros Magiakos, Evelina Liarou, Spyridon Efstathiou, Andrea Dsouza, Chrystala Constantinidou, Marc Walker, Constantinos Methenitis, Paul Wilson

{"title":"A Tunable Hydrogel Platform Based on Platinum-Containing Polymeric Arsenicals","authors":"Alexandros Magiakos, Evelina Liarou, Spyridon Efstathiou, Andrea Dsouza, Chrystala Constantinidou, Marc Walker, Constantinos Methenitis, Paul Wilson","doi":"10.1021/acs.chemmater.5c00184","DOIUrl":"https://doi.org/10.1021/acs.chemmater.5c00184","url":null,"abstract":"Platinum and arsenic (e.g., cisplatin, As2O3) have been used extensively in modern medicine due to their strong anticancer and antimicrobial activities. Here, polymeric arsenical scaffolds with varying As-functionalized acrylamide monomer (AsAm) composition are combined with PtII giving rise to hydrogels (P1-Pt–P4-Pt) with their properties being dependent on the AsAm content. The nature of the Pt–polymer interaction has been thoroughly investigated by 1H and 195Pt NMR spectroscopy as well as FT-IR, SEM, XPS, and potentiometric titration suggesting that cross-linking occurs primarily via coordination between oxygen atoms of the pendant arsenic acid group and PtII, while secondary noncovalent interactions are proposed to provide further structural integrity and stability. Importantly, the hydrogels demonstrate potential self-healing properties, while the nature of the cross-linking promotes deep penetration of water into the loosely cross-linked networks. Finally, preliminary qualitative antimicrobial evaluation conducted via disk diffusion assay indicates that P4-Pt is active against Gram-negative (uropathogenic Escherichia coli CFT073 and Escherichia coli K12MG1655) and Gram-positive (Bacillus subtilis and Staphylococcus aureus USA 300 JE2) bacterial strains. Overall, the combination of polymeric arsenical scaffolds with PtII results in the formation of cross-linked networks generating soft, strong, and self-healing hydrogels with tunable stiffness and elasticity and preliminary indications of antimicrobial potential.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":"25 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915554","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

Change in Magnetic Order in NiPS3 Single Crystals Induced by a Molecular Intercalation 分子插层诱导NiPS3单晶磁序的变化

IF 8.6 2区材料科学

Chemistry of Materials Pub Date : 2025-05-07 DOI: 10.1021/acs.chemmater.4c02724

Nirman Chakraborty, Adi Harchol, Beatriz Costa Arnold, Kusha Sharma, Diksha Prabhu Gaonkar, Azhar Abu-Hariri, Rajesh Kumar Yadav, Muhamed Dawod, Anna Eyal, Yaron Amouyal, Thomas Brumme, Thomas Heine, Doron Naveh, Efrat Lifshitz

{"title":"Change in Magnetic Order in NiPS3 Single Crystals Induced by a Molecular Intercalation","authors":"Nirman Chakraborty, Adi Harchol, Beatriz Costa Arnold, Kusha Sharma, Diksha Prabhu Gaonkar, Azhar Abu-Hariri, Rajesh Kumar Yadav, Muhamed Dawod, Anna Eyal, Yaron Amouyal, Thomas Brumme, Thomas Heine, Doron Naveh, Efrat Lifshitz","doi":"10.1021/acs.chemmater.4c02724","DOIUrl":"https://doi.org/10.1021/acs.chemmater.4c02724","url":null,"abstract":"Intercalation is a robust method for tuning the physical properties of a vast number of van der Waals (vdW) materials. However, the prospects of using intercalation to modify magnetism in van der Waals (vdW) systems and the associated mechanisms have not been adequately studied. In this work, we modulated magnetic order in XY antiferromagnet NiPS3 single crystals by introducing pyridine molecules into the vdW’s gap under different thermal conditions. X-ray diffraction measurements indicated pronounced changes in the lattice parameter β, while magnetization measurements at in-plane and out-of-plane configurations exposed reversal trends in the crystals’ Néel temperatures through intercalation/deintercalation processes. The changes in magnetic ordering were also supported by three-dimensional thermal diffusivity experiments. The preferred orientation of the pyridine dipoles within the vdW gaps was deciphered via polarized Raman spectroscopy. The results highlighted the relationship between the preferential alignment of the intercalants, thermal transport, and crystallographic disorder, along with the modulation of anisotropy in the magnetic order. DFT + U calculations indicated that the varying interlayer exchange interactions, regulated by intercalants, were responsible for modulating samples’ magnetic ordering. The study uncovers the possible merit of intercalation for manipulating spin orientations in spin electronics and advanced quantum devices.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":"8 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915552","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

Ionic Mobility in Energy Materials: Through the Lens of Quasielastic Neutron Scattering 能量材料中的离子迁移：通过准弹性中子散射透镜

IF 7.2 2区材料科学

Chemistry of Materials Pub Date : 2025-05-06 DOI: 10.1021/acs.chemmater.5c0023810.1021/acs.chemmater.5c00238

Bettina Schwaighofer*, Miguel A. Gonzalez, Mark R. Johnson, John S. O. Evans and Ivana Radosavljević Evans*,

{"title":"Ionic Mobility in Energy Materials: Through the Lens of Quasielastic Neutron Scattering","authors":"Bettina Schwaighofer*, Miguel A. Gonzalez, Mark R. Johnson, John S. O. Evans and Ivana Radosavljević Evans*, ","doi":"10.1021/acs.chemmater.5c0023810.1021/acs.chemmater.5c00238","DOIUrl":"https://doi.org/10.1021/acs.chemmater.5c00238https://doi.org/10.1021/acs.chemmater.5c00238","url":null,"abstract":"Many energy-related materials rely on ionic migration for their function. Examples include the flow of ions in battery or fuel cell electrolytes or the coupled flow of ions and electrons in electrodes and membrane materials. As such, understanding, controlling, and improving ionic migration is a major focus of modern materials science. Significant and invaluable insight into the structure of materials and the collective motion of their atoms (phonons) is routinely obtained by elastic (diffraction) and inelastic (INS) neutron scattering methods. Here we focus on quasielastic neutron scattering (QENS) which can give unique atomic-level information on dynamics in the solid state. QENS can be used to measure the length- and time-scales of both local and long-range ionic motion and to give detailed insight into migration pathways. The length- and time-scales probed are comparable to computational techniques such as molecular dynamics, meaning that QENS can help test and validate theory. The information provided is also highly complementary to techniques such as tracer diffusion measurements, conductivity measurements, impedance studies, and solid-state NMR. We provide an introduction to the theory and experimental methods for QENS, presenting the concepts in a language accessible to materials chemists. We then review the insights given by QENS studies on energy materials that show oxide, sodium, and lithium ion migration in the solid state.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":"37 10","pages":"3575–3593 3575–3593"},"PeriodicalIF":7.2,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.chemmater.5c00238","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144137595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ionic Mobility in Energy Materials: Through the Lens of Quasielastic Neutron Scattering 能量材料中的离子迁移：通过准弹性中子散射透镜

IF 8.6 2区材料科学

Chemistry of Materials Pub Date : 2025-05-06 DOI: 10.1021/acs.chemmater.5c00238

Bettina Schwaighofer, Miguel A. Gonzalez, Mark R. Johnson, John S. O. Evans, Ivana Radosavljević Evans

{"title":"Ionic Mobility in Energy Materials: Through the Lens of Quasielastic Neutron Scattering","authors":"Bettina Schwaighofer, Miguel A. Gonzalez, Mark R. Johnson, John S. O. Evans, Ivana Radosavljević Evans","doi":"10.1021/acs.chemmater.5c00238","DOIUrl":"https://doi.org/10.1021/acs.chemmater.5c00238","url":null,"abstract":"Many energy-related materials rely on ionic migration for their function. Examples include the flow of ions in battery or fuel cell electrolytes or the coupled flow of ions and electrons in electrodes and membrane materials. As such, understanding, controlling, and improving ionic migration is a major focus of modern materials science. Significant and invaluable insight into the structure of materials and the collective motion of their atoms (phonons) is routinely obtained by elastic (diffraction) and inelastic (INS) neutron scattering methods. Here we focus on quasielastic neutron scattering (QENS) which can give unique atomic-level information on dynamics in the solid state. QENS can be used to measure the length- and time-scales of both local and long-range ionic motion and to give detailed insight into migration pathways. The length- and time-scales probed are comparable to computational techniques such as molecular dynamics, meaning that QENS can help test and validate theory. The information provided is also highly complementary to techniques such as tracer diffusion measurements, conductivity measurements, impedance studies, and solid-state NMR. We provide an introduction to the theory and experimental methods for QENS, presenting the concepts in a language accessible to materials chemists. We then review the insights given by QENS studies on energy materials that show oxide, sodium, and lithium ion migration in the solid state.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":"47 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143910746","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