Crystal Growth & DesignPub Date : 2026-10-21Epub Date: 2026-10-01DOI: 10.1021/acs.cgd.6c01315
Alejandro G. Marangoni, Erica Pensini
{"title":"Correction to “Boundary Mismatch Free Energy Links Activity Coefficients and Cooperativity in Molecular Solids”","authors":"Alejandro G. Marangoni, Erica Pensini","doi":"10.1021/acs.cgd.6c01315","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01315","url":null,"abstract":"","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8636–8636"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221954","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Bioconjugate ChemistryPub Date : 2026-10-21Epub Date: 2026-10-08DOI: 10.1021/acs.bioconjchem.6c00394
Zefang Lin, Zhimin Yang, Sen Ma, Xiuting Lin, Qiang Zhang, Weibing Miao, Zihua Wang
{"title":"De Novo Design of a TROP-2-Targeting Peptide PET Tracer via AI-Guided Binding Interface Mimicry","authors":"Zefang Lin, Zhimin Yang, Sen Ma, Xiuting Lin, Qiang Zhang, Weibing Miao, Zihua Wang","doi":"10.1021/acs.bioconjchem.6c00394","DOIUrl":"https://doi.org/10.1021/acs.bioconjchem.6c00394","url":null,"abstract":"<p>Trophoblast cell surface antigen 2 (TROP-2) is a transmembrane glycoprotein overexpressed across a range of epithelial malignancies, yet its clinical assessment still relies largely on invasive immunohistochemical analysis of biopsied tissues. In this study, we employed the PepMimic artificial intelligence platform to de novo design a TROP-2-targeting peptide, TR23, via binding interface mimicry, which was subsequently conjugated with DOTA and radiolabeled with <sup>68</sup>Ga to yield the peptide-based PET probe [<sup>68</sup>Ga]Ga-DOTA-TR23. The tracer bound TROP-2 with nanomolar affinity (KD = 26.8 nM), showed selective cellular uptake in TROP-2-positive cells, and exhibited high radiochemical purity (>95%) with excellent stability in saline and serum. Micro-PET/CT imaging in pancreatic (BxPC-3), prostate (PC3), and thyroid (BCPAP) xenograft models revealed rapid, specific tumor accumulation with high contrast and low background uptake, while competitive blocking studies with excess unlabeled TR23 substantially suppressed tumor uptake, confirming receptor-mediated specificity. Quantitative analysis further demonstrated strong positive correlations between SUVmax and TROP-2 expression levels verified by immunohistochemistry across all three tumor types. Collectively, these findings establish [<sup>68</sup>Ga]Ga-DOTA-TR23 as a promising peptide-based PET tracer for rapid, specific, and quantitative imaging of TROP-2-positive tumors, and highlight the PepMimic-enabled strategy as a versatile platform for peptide-based probe discovery, supporting the translational potential of this tracer as a pan-cancer diagnostic agent for precision molecular imaging.</p>","PeriodicalId":29,"journal":{"name":"Bioconjugate Chemistry","volume":"37 10","pages":"2043–2053"},"PeriodicalIF":4.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Crystal Growth & DesignPub Date : 2026-10-21Epub Date: 2026-09-24DOI: 10.1021/acs.cgd.6c00979
Florian Metzger, Jonathan Valenzuela, Siddha Pimputkar
{"title":"Growth of GaN Using Lithium Flux at Super-Atmospheric Pressures","authors":"Florian Metzger, Jonathan Valenzuela, Siddha Pimputkar","doi":"10.1021/acs.cgd.6c00979","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00979","url":null,"abstract":"<p>Gallium nitride (GaN) is a wide-bandgap semiconductor with excellent electrical and optical properties, making it a leading candidate for next-generation power electronic devices and optoelectronic devices. The widespread adoption of GaN in high-power applications is hindered by the lack of inexpensive, large-area, high-quality single crystals for substrates. In this work, we demonstrate the growth of GaN single crystals from a lithium (Li)-flux at temperatures and nitrogen pressures up to 935 °C and 10 MPa, respectively, expanding the previously reported growth window by approximately 130 °C and a 35-fold increase in pressure. Through systematic systematically increasing synthesis temperature at elevated pressures, we identify parameters that influence crystal morphology and quality. Spontaneously nucleated, single crystals grown from the melt achieved sizes up to 3 mm in 100 h, with best growth conditions achieved at 935 °C, ∼ 8 MPa N<sub>2</sub> pressure and a 2.4 Ga/Li<sub>3</sub>N ratio. Characterization of the grown crystals demonstrates promising structural properties consistent with high-purity, low-defect, chemically and phase-pure wurtzite GaN with an ω-rocking curve full width at half maximum of 87 arcsec.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8375–8384"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221998","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Bioconjugate ChemistryPub Date : 2026-10-21Epub Date: 2026-09-28DOI: 10.1021/acs.bioconjchem.6c00378
Yang Shen, Kang Li, Xuni Cao
{"title":"Rational Design of Stable, Dual-Functionalized Ferritin Nanocages via Molecular Dynamics-Guided In Vitro Heteromeric Assembly","authors":"Yang Shen, Kang Li, Xuni Cao","doi":"10.1021/acs.bioconjchem.6c00378","DOIUrl":"https://doi.org/10.1021/acs.bioconjchem.6c00378","url":null,"abstract":"<p>This study presents a rational, simulation-guided strategy to overcome the structural instability of ferritin nanocages upon conjugation with large biomolecules<span></span>a common challenge in protein-based bioconjugates. Molecular dynamics (MD) simulations were performed using epidermal growth factor (EGF) and enhanced green fluorescent protein (eGFP) as models, which predicted that excessive eGFP fusion induces steric hindrance, disrupts hydrogen bonding, and weakens binding free energy at critical C3 interfaces, thereby destabilizing the cage. Based on these insights, an in vitro heteromeric assembly strategy was designed, employing EGF- and eGFP-(G<sub>4</sub>S)<sub>3</sub>-FTH1 subunits to generate pure, dual-functional nanostructures as a genetically programmable alternative to chemical bioconjugation. Successful assembly and functionality were confirmed by electron microscopy, fluorescence, and cell binding assays. To quantitatively assess stability, comprehensive biophysical profiling was performed under thermal, pH, and salt stress. Thermal denaturation, as monitored by nanoDSF, native PAGE, and qPCR-DSF, revealed a stepwise disassembly pathway: early local rearrangements at C3 interfaces precede global cage dissociation, and the disassembly midpoint temperature (<em>T</em><sub>diss</sub>) of the intact 24-mer increased from 62.9 °C to 79.2 °C as the EGF-FTH1 proportion increased, consistent with MD-predicted weakening of C3-interface hydrogen bonds and binding energy. Although a proportion of 40% EGF-FTH1 subunits (with 60% eGFP-(G<sub>4</sub>S)<sub>3</sub>-FTH1) represented the minimal threshold for forming intact heteromeric cages, 60% EGF-FTH1 (with 40% eGFP-(G<sub>4</sub>S)<sub>3</sub>-FTH1) provided the optimal balance between functional display and stability, retaining >80% cage integrity at pH 7, exhibiting superior salt tolerance, and maintaining one-month storage stability at 4 °C; increasing the eGFP-(G<sub>4</sub>S)<sub>3</sub>-FTH1 ratio beyond 40% led to markedly reduced stability. The co-assembly approach was validated with TAT/EGF-functionalized cages, which maintained stability and enhanced cellular uptake. MD-predicted subunit interfaces were thus used to guide the combination of stable and unstable subunit pairs, yielding protein nanocages with balanced functionality and stability, and establishing this strategy as a versatile approach for expanding the utility of multifunctional protein nanocages in biomedicine and industrial biocatalysis.</p>","PeriodicalId":29,"journal":{"name":"Bioconjugate Chemistry","volume":"37 10","pages":"2020–2034"},"PeriodicalIF":4.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Crystal Growth & DesignPub Date : 2026-10-21Epub Date: 2026-10-03DOI: 10.1021/acs.cgd.6c00866
Mohammad M. Afandi, Dong-Gwan Kim, Ha Young Kang, Yoonho Choi, Gyeong Ryul Lee, Yeongmin Park, Jongsu Kim, Taehoon Lee, Roy B. Chung
{"title":"Defect-Controlled p-Type Conductivity in an Ultrawide-Bandgap ZnGa2O4 Film","authors":"Mohammad M. Afandi, Dong-Gwan Kim, Ha Young Kang, Yoonho Choi, Gyeong Ryul Lee, Yeongmin Park, Jongsu Kim, Taehoon Lee, Roy B. Chung","doi":"10.1021/acs.cgd.6c00866","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00866","url":null,"abstract":"<p>Ultrawide-bandgap (UWBG) semiconductors are central to next-generation power electronics and deep-UV optoelectronics, yet the absence of reliable p-type materials remains a critical bottleneck. Here, we demonstrate stable intrinsic p-type conductivity in the spinel UWBG oxide ZnGa<sub>2</sub>O<sub>4</sub>, epitaxially grown on <em>c</em>-plane sapphire via mist chemical vapor deposition. The films exhibit high crystalline quality, evidenced by relatively narrow rocking curves and atomically smooth surfaces. Hall measurements confirm stable p-type conduction with a hole mobility of 4.43 cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup> and a carrier concentration on the order of 10<sup>15</sup> cm<sup>−3</sup> in the optimized film at room temperature. By off-stoichiometrically tuning the Zn/Ga precursor ratio, we reveal that intrinsic p-type behavior originates from the antisite defect, establishing cation disorder as an important mechanism governing carrier polarity. Comprehensive structural, optical, electrical, and first-principles analyses indicate the interplay between defect chemistry and charge transport in spinel oxides. These results position ZnGa<sub>2</sub>O<sub>4</sub> as a viable p-type UWBG semiconductor and introduce defect-controlled spinel oxides as promising materials for future high-power and extreme-environment electronics.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8272–8280"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Crystal Growth & DesignPub Date : 2026-10-21Epub Date: 2026-10-09DOI: 10.1021/acs.cgd.6c00895
Eric B. Sirota
{"title":"The Effect of Alkane Rotator Phases on Needle Penetration","authors":"Eric B. Sirota","doi":"10.1021/acs.cgd.6c00895","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00895","url":null,"abstract":"<p>A binary n-alkane blend (nC22+nC24) with a rotator phase stable over a wide temperature range is characterized with X-ray scattering, differential scanning calorimetry (DSC), and the ASTM needle penetration test method, which is the commonly practiced industrial specification method used to quantify the softness of wax. For wax-like solids, penetration is commonly associated with the amount of non-crystallizing liquid entrained between the alkane crystallites. Our model system has no non-crystallizable material but rather fully crystallizes first into the rotator phases, which are 3D crystals but softer than the lower-temperature non-rotator crystal phase. The penetration was measured as a function of temperature and was found to increase strongly at higher temperatures through the rotator phases, prior to the beginning of melting, where there is no entrained liquid. This shows clearly that, in addition to the entrained oil content when present, the stability of the rotator phases is an important mechanism for increased penetration and thus reduced hardness of wax.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8312–8318"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222072","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yifan Wang, Jiyue Hu, Bowen Li, Sean Xu, Xiangming He
{"title":"Gastrointestinal-Responsive Jelly Fig–Alginate Microgels for Restoring Intestinal Barrier Homeostasis through Microbiota–Metabolite Remodeling","authors":"Yifan Wang, Jiyue Hu, Bowen Li, Sean Xu, Xiangming He","doi":"10.1021/acsami.6c13475","DOIUrl":"10.1021/acsami.6c13475","url":null,"abstract":"<p>Oral biomaterials capable of protecting natural bioactives during gastrointestinal transit while restoring intestinal barrier function offer a promising strategy for inflammatory bowel disease intervention. Here, we developed edible Jelly Fig (<em>Ficus awkeotsang</em> Makino, JF) pectin–alginate composite microgels (Mgel) through Ca<sup>2+</sup>-mediated ionic crosslinking as a gastrointestinal-responsive oral biomaterial. The resulting microgels exhibited uniform spherical morphology, enhanced mechanical robustness, gastric stability, and intestinal responsiveness, thereby improving the delivery performance of JF-derived bioactive components. Phytochemical and HPLC analyses showed that the ethanol-soluble fraction of JF was enriched in phenolic constituents and displayed potent antioxidant, anti-inflammatory, and epithelial barrier-protective effects in macrophage and intestinal epithelial cell models. In dextran sulfate sodium-induced colitis mice, orally administered Mgel showed superior protective efficacy compared with unformulated JF hydrogel at an equivalent dose, as evidenced by reduced body weight loss, disease activity, colon shortening, histological injury, inflammatory cytokine production, oxidative stress, and intestinal permeability. Mgel further restored mucus and tight junction barrier markers, promoted epithelial regeneration, and improved mucosal healing. Moreover, 16S rRNA sequencing combined with targeted metabolite profiling revealed that Mgel remodeled the gut microbiota, enriched beneficial taxa such as <em>Lactobacillus</em> and <em>Akkermansia</em>, and restored short-chain fatty acid and secondary bile acid metabolism. These findings demonstrate that Jelly Fig–alginate microgels serve as a food-grade, gastrointestinal-responsive oral biomaterial platform for coordinated restoration of epithelial barrier integrity and microbiota–metabolite homeostasis in colitis.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"18 41","pages":"55891–55909"},"PeriodicalIF":7.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092217","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}
{"title":"Protonated Molecular Bridging of Buried Interfaces for Stable Inverted Perovskite Solar Cells","authors":"Yanfei Wang, Qixin Zhuang, Xuyuan Lv, Ruixin Zu, Lidan Wang, Xue Zhang, Yaoming Xiao, Can Wang, Guangping Yao, Litao Xin, Zisheng Su","doi":"10.1021/acsami.6c14387","DOIUrl":"10.1021/acsami.6c14387","url":null,"abstract":"<p>Self-assembled monolayers (SAMs) are widely used as hole-selsctive contacts in inverted perovskite solar cells (PSCs). However, their molecular-scale thickness makes the SAM/perovskite buried interface sensitive to molecular coverage, precursor wettability, and initial nucleation, which can lead to insufficient interfacial coupling and defect-assisted recombination. Herein, we introduce 4-aminobenzenesulfonamide hydrochloride (4–Ah·HCl) as a protonation-enhanced molecular bridge between [4-(7<em>H</em>-Dibenzo[<em>c</em>,<em>g</em>]carbazol-7-yl)butyl]phosphonic acid (4PADCB) and the perovskite absorber. Compared to its neutral counterpart, the protonated NH<sub>3</sub><sup>+</sup> sites in 4–Ah·HCl exhibit stronger positive electrostatic potential, enhanced hydrogen-bonding capability, and pronounced dipolar characteristics. This facilitates robust N–H···O–P interactions with 4PADCB. The S=O and N–H groups within the sulfonamide moiety interact with interfacial Pb<sup>2+</sup> and I<sup>–</sup> sites and contribute to defect passivation. The modification improves precursor wettability and are associated with denser perovskite films and reduced nonradiative recombination. The modified inverted PSCs achieve a champion power conversion efficiency (PCE) of 25.50% and exhibit improved thermal and storage stability. This work presents a viable protonation strategy for engineering phosphonic-acid-based SAM/perovskite interfaces.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"18 41","pages":"56148–56156"},"PeriodicalIF":7.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149126066","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}
Xinmei Wang, Kangmin He, Xue-Yang Luo, Yoshifumi Yamaguchi, Jindian Xu, Yu Gu, Qianqian Ji, Yan Xia, Bin Xu, Li-Hao Huang, Jiaxi Wang
{"title":"Integrated Diagnostic and Mechanistic Profiling of Moyamoya and Intracranial Atherosclerotic Disease via Serum Metabolic Fingerprinting Based on SCs-ZIF-8@Au Nanomaterials","authors":"Xinmei Wang, Kangmin He, Xue-Yang Luo, Yoshifumi Yamaguchi, Jindian Xu, Yu Gu, Qianqian Ji, Yan Xia, Bin Xu, Li-Hao Huang, Jiaxi Wang","doi":"10.1021/acsami.6c13089","DOIUrl":"10.1021/acsami.6c13089","url":null,"abstract":"<p>Accurate differentiation between moyamoya disease (MMD) and intracranial atherosclerotic disease (ICAD) remains clinically challenging yet crucial for guiding effective therapeutic strategies. Here, we developed a novel nanomaterial platform (SCs-ZIF-8@Au) to perform high-resolution serum metabolic fingerprinting using nanoparticle-assisted laser desorption/ionization mass spectrometry. By integrating machine learning algorithms with metabolic profiling, we established a robust diagnostic model that accurately distinguished MMD from ICAD and healthy controls (HCs). In a cohort comprising 178 MMD patients, 75 ICAD patients, and 103 HCs, our classifier achieved area under the curve (AUC) values of 0.97 (MMD vs HCs), 0.98 (ICAD vs HCs), and 0.88 (MMD vs ICAD). Beyond diagnostics, mechanistic exploration of key metabolic biomarkers revealed that reduced mevalonic acid in MMD impairs endothelial tube formation and migration by disrupting tight junction integrity, attenuating VEGF signaling, and altering calcium homeostasis in human endothelial cells. These findings link dysregulated mevalonate metabolism to pathological angiogenesis in MMD and support its role in endothelial dysfunction. Together, our study provides a clinically applicable, noninvasive diagnostic tool for MMD and ICAD, while uncovering a previously unrecognized pathogenic mechanism that connects systemic metabolic alterations to cerebrovascular remodeling in MMD.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"18 41","pages":"55874–55890"},"PeriodicalIF":7.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149126074","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}
{"title":"Quantifying the Heterointerface Contribution in a Cu7S4/CuCo2S4 Cathode with LiCl-All-Phenyl Complex Electrolyte for High-Performance Magnesium/Lithium Hybrid-Ion Batteries","authors":"Xuehui Wang, Guangwu Zhang, Kaifeng Huang, Xiang Fang, Cheng Wang, Haojun Xu, Chenchen Zhang, Xiaoya Wang, Qiye Zheng, Jinyun Liu","doi":"10.1021/acsami.6c16394","DOIUrl":"10.1021/acsami.6c16394","url":null,"abstract":"<p>Heterostructured cathodes are widely credited with accelerating conversion kinetics in magnesium/lithium hybrid-ion batteries (MLHBs). Here, we construct a Cu<sub>7</sub>S<sub>4</sub>/CuCo<sub>2</sub>S<sub>4</sub> heterostructure in a single hydrothermal process, in which the two phases sharing a common Cu–S sublattice form a coherent interface within individual particles. By fixing the phase ratio independently through Rietveld refinement and benchmarking against both phase-pure constituents under identical conditions, we show that the composite exceeds the composition-weighted rule-of-mixtures prediction by a factor of 3.4 at 0.3 A g<sup>–1</sup>. Because the constituents exhibit closely comparable charge–discharge profiles, the redox chemistry itself is unchanged, and this strongly super-additive response can primarily originate from the interface rather than from composition. Elemental mapping and surface-sensitive XPS, together with the coexistence of Li<sub>2</sub>S and MgS in in situ XRD, further reveal that storage is spatially partitioned: Li<sup>+</sup> converts the particle interior while Mg<sup>2+</sup> reacts predominantly in the near-surface region, so that the two carriers occupy complementary regions of the same particle. Comparing APC-LiCl with APC-LiTFSI at matched salt concentration, and identical in every other respect, localizes the electrolyte effect to the electrode interface, where the chloride-containing system suppresses the progressive Mg-surface passivation that drives continuous overpotential growth in the TFSI<sup>–</sup> system. The resulting cell delivers 400 mAh g<sup>–1</sup> at 0.3 A g<sup>–1</sup> and retains 152.56 mAh g<sup>–1</sup> after 330 cycles at 1.0 A g<sup>–1</sup> at ∼100% Coulombic efficiency. DFT calculations indicate increased states near the Fermi level and a localized interfacial electrostatic gradient consistent with the measured kinetics.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"18 41","pages":"56223–56235"},"PeriodicalIF":7.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149126116","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}