ACS Materials Au最新文献

{"title":"A First-Principles Study of l-Glutathione Adsorption on Chiral Gold Nanoparticles","authors":"Jianming Cui,&nbsp;Xin Qi","doi":"10.1021/acsmaterialsau.5c00262","DOIUrl":"10.1021/acsmaterialsau.5c00262","url":null,"abstract":"<p>The chiral 432 helicoids II and III gold (Au) nanoparticleshavebeen successfully synthesized using <span>l</span>-glutathione (<span>L</span>-GSH) as the chiral shape modifier; however, how <span>L</span>-GSH interactswith Au surfaces to trigger and promote the formation of chiral shapesremains unknown. In this work, the selectivity of <span>L</span>-GSH onenantiomeric Au(321)^{<em>R</em>/<em>S</em>} is investigated using first-principles density functional theory(DFT). To avoid a resource- and time-consuming brute-force geometricscan of a full <span>L</span>-GSH molecule adsorbed on Au(321)^{<em>R</em>/<em>S</em>}, we first decomposed <span>L</span>-GSH into three amino acid analogues, namely, <span>l</span>-glutamicacid (<span>l</span>-Glu), <span>l</span>-cysteine (<span>l</span>-Cys), and glycine(Gly), and reduced the chiral Au(321)^{<em>R</em>/<em>S</em>} facets into constituent microfacets, namely, Au(111),Au(100), and Au(110). By understanding how each molecular buildingblock interacts with these three low-Miller-index facets, we rationallydesigned six sets of initial configurations of <span>L</span>-GSH adsorbedon Au(321)^{<em>R</em>/<em>S</em>} and performedoptimization to identify the most thermodynamically stable structures.We find that <span>L</span>-GSH enantioselectively binds more stronglyto Au(321)^<em>R</em>, but the enantiomeric shiftin binding energy is small. Regardless of the facet chirality, allstrong-binding configurations exhibit a “reach-and-stretch”mechanism to maximize contact between <span>L</span>-GSH and kinks, multiplesteps, and terraces, where both thiol and amine groups play criticalroles. The enantioselectivity reported herein supports experimentswhere <span>L</span>-GSH is observed to promote the expression of Au(321)^<em>R</em>, and the laterally extended conformationof <span>L</span>-GSH on Au(321) can inspire future studies on the rolesof <span>L</span>-GSH in inducing chiral shape formation.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"6 4","pages":"767–778"},"PeriodicalIF":9.1,"publicationDate":"2026-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148424801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advancing Parkinson’s Prevention: Brain-Specific Lipopolyplex Delivery of the GDNF as a Neuroprotective Gene Therapy","authors":"Yujing Zhang,&nbsp;Yujing Huang,&nbsp;Zhonghua Lu,&nbsp;Zhen Yuan","doi":"10.1021/acsmaterialsau.6c00024","DOIUrl":"10.1021/acsmaterialsau.6c00024","url":null,"abstract":"<p>Parkinson’s disease (PD) is characterized by progressivedopaminergic neuron loss. Although the glial cell line-derived neurotrophicfactor (GDNF) offers therapeutic promise, its clinical translationis hampered by challenges related to delivery methods and the timingof intervention. Here, we developed a brain-targeted lipopolyplex(BAGLPP) for systemic GDNF gene delivery. BAGLPP incorporates an RVG29peptide-modified lipid shell for blood–brain barrier crossingand a polyethylenimine-condensed AAV plasmid core for efficient transfection.Following intravenous administration, BAGLPP demonstrated superiorbrain accumulation and expression in PD-relevant regions. In a cellularPD model, BAGLPP pretreatment reduced apoptosis, oxidative stress,and pathological α-synuclein (pS129) accumulation. In MPTP-inducedmice, prophylactic BAGLPP treatment established sustained GDNF expression(maintaining levels 3.7-fold higher than controls at 8 weeks postlesion),which activated the PI3K/Akt pro-survival pathway, suppressed pro-apoptoticBax, and attenuated neuroinflammation. This multifaceted protectionpreserved dopaminergic neurons and striatal dopamine and improvedmotor function without significant systemic toxicity. Our findingsestablish BAGLPP as a durable, nonviral gene therapy platform withstrong potential for preventing PD progression.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"6 3","pages":"642–656"},"PeriodicalIF":9.1,"publicationDate":"2026-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147964603","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Soft-Matter Confinement Modulates Excited-State Dynamics of Ru Photocatalysts for Hydrogen Evolution in Aqueous Media","authors":"Jens H. Tran,&nbsp;Nikita Vashistha,&nbsp;Akuila Edwards,&nbsp;Alexander K. Mengele,&nbsp;Alina Koba,&nbsp;Sana Ullah,&nbsp;Jens Bauer,&nbsp;Jan Griebel,&nbsp;Michael Schmitt,&nbsp;Samir F. El-Mashtoly,&nbsp;Jürgen Popp,&nbsp;Dirk Ziegenbalg,&nbsp;Benjamin Dietzek-Ivanšić,&nbsp;Sven Rau,&nbsp;Montaha Anjass","doi":"10.1021/acsmaterialsau.5c00212","DOIUrl":"10.1021/acsmaterialsau.5c00212","url":null,"abstract":"<p>The development of photochemical molecular devices (PMDs)is essentialfor the mechanistic understanding of solar-to-fuel conversion, yettranslation from homogeneous solution to heterogeneous systems remainslargely unexplored, as molecular confinement may lead to unpredictablereactivity and dynamics. Here, we report Ru-based photosensitizer─bridgingligand─Rh/Pt catalyst assemblies, as well-characterized modelsystems, immobilized within electrospun polyacrylonitrile (PAN) nanofibersas a soft-matter matrix for light-driven hydrogen evolution in fullyaqueous media. Structural and spectroscopic analysis (SEM, XPS, EDX,ATR-IR, FT-Raman, O-PTIR, NMR, UV–vis and diffuse reflectance)confirmed homogeneous distribution and chemical integrity of the molecularcomponents after they have been embedded into the nanofibrous soft-mattermatrix. Steady-state emission revealed that the polymer matrix altersthe local environment around the complex, destabilizing the π*orbital energy of the tpphz bridge. Emission and femtosecond transientabsorption (fsTA) spectroscopy further demonstrated that the surfaceand buried complexes give different contributions to excited-statedynamics, which is significantly different from what was observedfor solution. Light-driven hydrogen evolution experiments confirmedthe activity of all fibers containing the catalytic Rh or Pt centers.The observable photocatalytic activity is determined by the natureof the catalytic center and is only insignificantly altered upon immobilizationinto the PAN matrix. The nanofibers enable stable photocatalysis withenvironmentally benign sacrificial donors, suppress leaching, andpreserve the molecular integrity under catalytic turnover. These findingshighlight how a soft-matter environment modulates the photophysicalpathways of molecular photocatalysts and provides mechanistic insightinto designing fiber-supported systems for sustainable hydrogen evolutionin aqueous media.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"6 3","pages":"553–565"},"PeriodicalIF":9.1,"publicationDate":"2026-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147964784","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cross-Linkable Protein Nanofiber Aerogels for the Removal of Cationic and Anionic Dyes","authors":"Nasim Fadaie,&nbsp;Lenka Vitkova,&nbsp;Wenqiang Wang,&nbsp;Xiaying Xin,&nbsp;Kevin De France","doi":"10.1021/acsmaterialsau.6c00006","DOIUrl":"10.1021/acsmaterialsau.6c00006","url":null,"abstract":"<p>Water contamination by synthetic dyes from textile, plastic,paint,and paper industries poses a significant environmental and publichealth challenge. These dyes are chemically stable, toxic, and proneto bioaccumulation, necessitating efficient and sustainable removalstrategies. Here, we present protein nanofiber-based aerogels derivedfrom bovine serum albumin (BSA) as effective biobased adsorbents fordye removal. BSA nanofibers were prepared through a high-temperature,acid-mediated self-assembly process and subsequently cross-linkedand freeze-dried to form porous aerogels. Degree of cross-linkingwas varied to assess impacts on aerogel porosity, mechanical strength,and adsorption efficiency. Optimized aerogel formulations exhibitedhigh removal efficiencies exceeding 99% for both cationic (crystalviolet) and anionic (rose bengal) dyes. Adsorption isotherms werefitted using Langmuir, Freundlich, and Redlich–Peterson models;while all three showed good correlation, the Redlich–Petersonmodel provided the best overall fit, indicating a hybrid adsorptionmechanism. The maximum Langmuir adsorption capacities achieved were344 mg g^–1 for crystal violet and 246 mg g^–1 for rose bengal. The adsorption kinetics followed a pseudo-second-ordermodel and reached equilibrium within 6 h. Finally, aerogel regenerationwas performed over three cycles, showcasing the potential of aerogelreuse without significant changes in adsorption/desorption performance.Overall, this work demonstrates the potential of BSA nanofiber aerogelsas a renewable, biodegradable, and high-performance platform for waterpurification of organic dyes.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"6 3","pages":"619–632"},"PeriodicalIF":9.1,"publicationDate":"2026-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147964826","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of Precursor Composition on Microstructure Formation in Protein-Derived Porous Graphitic Aerogels","authors":"M. Shaharyar Wani,&nbsp;Elizabeth G. Stump,&nbsp;Bridget R. Denzer,&nbsp;Craig B. Arnold","doi":"10.1021/acsmaterialsau.5c00227","DOIUrl":"10.1021/acsmaterialsau.5c00227","url":null,"abstract":"<p>Hierarchically porous graphitic aerogels (HGAs) are promisingcarbonmaterials owing to their low density, multilevel porosity, and interconnectedframeworks, making them suitable for applications in energy storage,water purification, and environmental remediation. In this work, HGAswere synthesized from a range of protein-based precursors, includingpasteurized egg white (PEW), α-lactalbumin, β-lactoglobulin,bovine serum albumin (BSA), and yogurt, through pyrolysis. The studyinvestigates how precursor composition influences thermal decompositionand microstructural development. All precursors except yogurt formedinterconnected sheet- and fiber-like frameworks due to the self-foamingeffect during pyrolysis. Despite its high protein content, the yogurtprecursor produced a rough porous morphology, likely due to the presenceof fats and inorganic species that inhibit foaming action. Elementalanalysis confirmed the presence of significant amounts of inorganicspecies, such as calcium and phosphorus, in the yogurt-derived samples.To examine the influence of nonprotein constituents, a control experimentwas conducted using a casein–whey mixture, the primary proteincomponent of yogurt. Pyrolysis of this mixture produced aerogels withinterconnected sheet- and fiber-like morphologies, confirming thatthe additional nonprotein components in yogurt affect structure formation.Further Raman analysis indicates that increasing the pyrolysis temperatureenhanced carbonization and graphitic ordering across all the samples.Overall, this work provides insight into developing HGAs from diverseprotein precursors and shows how precursor composition influencesmicrostructural development during protein pyrolysis, offering valuableguidance for the design of HGA-based composites and functional materials.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"6 3","pages":"576–582"},"PeriodicalIF":9.1,"publicationDate":"2026-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147964781","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of Synthesis Conditions on the Structure and Conductivity of Hydrogen-Substituted Graphdiyne","authors":"Karam Eeso,&nbsp;Akriti Sarswat,&nbsp;Zhitao Chen,&nbsp;Cheng-Tien Hsieh,&nbsp;Timothy N. Lambert,&nbsp;Nian Liu","doi":"10.1021/acsmaterialsau.5c00228","DOIUrl":"10.1021/acsmaterialsau.5c00228","url":null,"abstract":"<p>This study investigates how synthesis conditions influencethestructure and conductivity of hydrogen-substituted graphdiyne (HsGDY).By varying the reaction temperature and solvent, we find that smallchanges in conditions markedly affect triple-bond retention and electroniccontinuity. Solid-state ¹³C NMR and Raman spectroscopyreveal that elevated temperatures drive alkyne loss and partial graphitization,with <em>N</em>,<em>N</em>-dimethylformamide (DMF)promoting faster degradation than pyridine. The resulting declinein alkyne content directly correlates with reduced conductivity, indicatingthat preserving conjugation is essential for charge transport. Thesefindings clarify how the synthetic environment governs the structuraland electronic evolution of graphdiyne frameworks, providing insightinto the controlled preparation of conjugated carbon networks.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"6 3","pages":"513–518"},"PeriodicalIF":9.1,"publicationDate":"2026-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147964785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Programmable Patch Formation on Anisotropic Nanoparticles","authors":"Jaedeok Lee,&nbsp;Nayoung Jeon,&nbsp;Juyeong Kim","doi":"10.1021/acsmaterialsau.5c00252","DOIUrl":"10.1021/acsmaterialsau.5c00252","url":null,"abstract":"<p>Polymer-grafted patchynanoparticles on anisotropic inorganiccoresprovide a versatile platform for encoding directional interactions,spatially resolved chemistry, and adaptive interfaces, whereas isotropicnanospheres usually present nearly uniform shells to polymers, anisotropiccores such as rods, triangles, and polyhedra present tips, edges,and facets with distinct curvatures and coordination environments,which confine and solvate the grafted polymers at specific positions.This review discusses the translation of anisotropy into selectivepatch formation and the rational control of patch topology. We firstdiscuss ligand-mediated strategies through which the preformed coresurface is prepatterned by competitive adsorption, lateral-phase segregation,or facet-selective masking, creating polymer patches on an inhomogeneousligand landscape. This section focuses on curvature-guided dewettingon gold nanorods, ligand island formation on nanotriangles, and halide-basedatomic stenciling on polyhedral gold nanocrystals. We then examineroutes through which initially uniform or weakly modulated homopolymerand block copolymer shells reorganize into discrete domains in responseto changes in solvent quality or temperature, specifically solvent-triggeredcollapse into surface-attached micelles and heat-driven contractionand curvature-sensitive redistribution of grafted layers. Finally,we highlight exploitations of these mechanisms in representative anisotropic-reliantapplications, including patch-programmed supracolloidal architectures,directionally coupled plasmonic assemblies, and anisotropic-reactionmasks and adaptive coatings on rods and polyhedra. Overall, the reviewconnects ligand chemistry, curvature, and external stimuli to thepathways of patch formation, outlining design principles of polymer-patchedanisotropic nanoparticles as programmable building blocks for advancedhybrid materials.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"6 3","pages":"494–512"},"PeriodicalIF":9.1,"publicationDate":"2026-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147964808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Stereoselective Coassembly of Chiral Isomer Peptide Pairs","authors":"Conor L. O’Neill,&nbsp;Jonathan L. Fascetti,&nbsp;Zoe Clapacs,&nbsp;Lauren K. Kaplita,&nbsp;Chih-Yun Liu,&nbsp;Darren Kim,&nbsp;Mark A. White,&nbsp;Jai S. Rudra","doi":"10.1021/acsmaterialsau.5c00156","DOIUrl":"10.1021/acsmaterialsau.5c00156","url":null,"abstract":"<p>Peptidecoassembly and self-assemblyare complex processes that enable the formation of intricate nanoscalestructures, facilitating the development of novel functional biomaterials.In this study, we explore stereocomplexation-driven enantiomeric coassembly,focusing on the distinctive structures of 'block heterochiral'peptides. Using the model amphipathic peptide KFE8 (FKFEFKFE), whichconsists of two FKFE blocks, we created homochiral peptides made ofrepeat units with the same chirality (LL and DD) or heterochiral variantswith opposite chirality units (LD and DL). We examined the pairwiseassembly behaviors of these identical peptides, which differ onlyin segmented stereoisomerization. We analyzed the nano-, micro-, andmacroscale properties of LL/LD, LL/DL, DD/LD, and DD/DL, each representingtwo equimolar stereoisomers mixed before solubilization ('premixed')to enable potential coassembly or self-sorting within a single, well-mixedmonomer phase. We also used 'postmixed systems', which wereassembled separately and combined only before data collection foreach technique (e.g., LL+LD) as controls. Our data show that homochiralor heterochiral peptide pairs with matching N-terminal chirality coassemble,while a mismatch in N-terminal chirality promotes self-sorting behavior.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"6 3","pages":"529–538"},"PeriodicalIF":9.1,"publicationDate":"2026-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147964847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Strongly Confined Bismuth Antimonide Quantum Dots","authors":"Min Khadka,&nbsp;Rajendra Subedi,&nbsp;Qiaohui Zhou,&nbsp;Xin Lu,&nbsp;Joelin A. Agyei-Mensah,&nbsp;Miguel José-Yacamán,&nbsp;Guillaume Lang,&nbsp;Etienne Herth,&nbsp;Grégory Guisbiers","doi":"10.1021/acsmaterialsau.5c00233","DOIUrl":"10.1021/acsmaterialsau.5c00233","url":null,"abstract":"<p>Bismuth antimonide(Bi_{1–<em>x</em>}Sb_<em>x</em>) has emerged as a highly promisingmaterialfor quantum applications due to its complex band structure. In thisstudy, spherical Bi_{1–<em>x</em>}Sb_<em>x</em> quantum dots (QDs), with a diameter of around 8± 2 nm, were successfully synthesized by pulsed laser ablationin liquids. The energy bandgap was determined at 2.02 ± 0.27eV, which is significantly higher than the bulk value (∼0.025eV). The strong confinement nature of the dots was confirmed by theRaman peak shifts. The chemical composition of the Bi_{1–<em>x</em>}Sb_<em>x</em> QDs was measuredto be around 77 ± 2 at. % of Bi and 23 ± 2 at. % of Sb.The colloid containing the Bi_{1–<em>x</em>}Sb_<em>x</em> QDs was classified as highly stable,displaying a zeta potential of −38 ± 18 mV. Finally, theBi_{1–<em>x</em>}Sb_<em>x</em> QDs exhibited an electron spin resonance (ESR) signal at room temperatureand at cryogenic temperature (4.2 K); consequently, revealing thepresence of paramagnetic states.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"6 3","pages":"519–528"},"PeriodicalIF":9.1,"publicationDate":"2026-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147964766","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pressure-Induced Chemical Bonding Effects on Lattice and Magnetic Instabilities in Antiferromagnetic Insulating CaMn2Sb2","authors":"Matt Boswell,&nbsp;Antonio M. dos Santos,&nbsp;Mingyu Xu,&nbsp;Madalynn Marshall,&nbsp;Su-Yang Xu,&nbsp;Weiwei Xie","doi":"10.1021/acsmaterialsau.6c00021","DOIUrl":"10.1021/acsmaterialsau.6c00021","url":null,"abstract":"<p>Exotic quantum phenomena often emergenear an electronicdelocalizationtransition (EDT) from an antiferromagnetic insulating phase to a stronglycorrelated metallic state under pressure. We report the pressure-inducedstructural and magnetic evolution of the antiferromagnetic insulatorCaMn₂Sb₂. Single-crystal X-ray diffraction revealsa first-order phase transition near 5.4 GPa from a trigonal <em>P</em>-3<em>m</em>1 structure to a monoclinic <em>P</em>2₁/<em>m</em> phase accompanied by a∼7% volume collapse. Residual electron density analysis atintermediate pressures reveals charge localization along Mn–Sbchains, signaling electronic instability preceding the structuraltransition. Bonding analysis indicates anisotropic Mn–Sb orbitalreconfiguration under pressure, driving a distorted square-pyramidalgeometry. Neutron scattering confirms the transition and identifiesa pressure-induced incommensurate magnetic order, distinct from theambient antiferromagnetic state. In the monoclinic phase, zigzag Mnchains exhibit antiferromagnetic coupling along the <em>ac</em>-plane, enabled by enhanced orbital overlap. These results establishCaMn₂Sb₂ as a model system for studying thecoupling of structural distortion, charge redistribution, and magneticorder in layered Mn pnictides under pressure.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"6 3","pages":"633–641"},"PeriodicalIF":9.1,"publicationDate":"2026-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147964779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}