The Journal of Physical Chemistry C最新文献_第4页

Structural Stability and Kinetics of Hydrogenation of β-Tantalum at Low Temperatures β-钽的结构稳定性及低温加氢动力学

IF 4.126 3区化学

The Journal of Physical Chemistry C Pub Date : 2025-10-16 DOI: 10.1021/acs.jpcc.5c05265

Ziqing Yuan, Herman Schreuders, Ewout Voorrips, Robert Dankelman, Roger M. Groves, Bernard Dam, Lars J. Bannenberg

{"title":"Structural Stability and Kinetics of Hydrogenation of β-Tantalum at Low Temperatures","authors":"Ziqing Yuan, Herman Schreuders, Ewout Voorrips, Robert Dankelman, Roger M. Groves, Bernard Dam, Lars J. Bannenberg","doi":"10.1021/acs.jpcc.5c05265","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05265","url":null,"abstract":"The development of reliable hydrogen sensing materials for subzero environments is crucial for aviation, cryogenic storage, and hydrogen infrastructure applications. In this study, we investigate tetragonal β-tantalum (β-Ta) thin films at −60 °C to assess their potential for optical hydrogen sensing. In situ X-ray diffraction (XRD) measurements reveal a reversible lattice expansion upon hydrogen exposure, with β-Ta exhibiting a smaller volumetric expansion compared to α-Ta, indicating lower hydrogen solubility. Optical transmission measurements demonstrate a monotonic and fully reversible optical response across a range of hydrogen pressures, free of any hysteresis. However, β-Ta exhibits prolonged response times at low temperatures due to diffusion-limited kinetics, as confirmed by power-law response rate analysis and direct diffusion front measurements. Although β-Ta offers a temperature-independent resolution and structural robustness, its slower response time suggests the need for further microstructural optimizations to enhance hydrogen diffusion.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"106 5 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145295541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Weak *CO-Binding Dopants in Cu-Based Single-Atom Alloys Serving as Diffusion-Assisting Mediators to Facilitate C–C Coupling cu基单原子合金中的弱*共结合掺杂剂作为促进C-C耦合的扩散辅助介质

IF 4.126 3区化学

The Journal of Physical Chemistry C Pub Date : 2025-10-16 DOI: 10.1021/acs.jpcc.5c04850

Yanpu Niu, Haolan Tao, Jingkun Li, Cheng Lian, Honglai Liu

{"title":"Weak *CO-Binding Dopants in Cu-Based Single-Atom Alloys Serving as Diffusion-Assisting Mediators to Facilitate C–C Coupling","authors":"Yanpu Niu, Haolan Tao, Jingkun Li, Cheng Lian, Honglai Liu","doi":"10.1021/acs.jpcc.5c04850","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c04850","url":null,"abstract":"Copper-based single-atom alloy (SAA) catalysts exhibit tunable C–C coupling behavior during CO2 reduction, governed by dopant-dependent metal–carbon (M–C) interactions. Combining density functional theory (DFT) calculation and ab initio molecular dynamics (AIMD) simulation, this study systematically investigates dopant effects across three C–C coupling pathways: *CO+*CO, *CO+*COH, and *CO+*CHO. Compared to *COH and *CHO, *CO is identified as the primary migratory intermediate governing coupling kinetics due to its weak adsorption and low coordination number. Strong M–C interactions (e.g., Ni-doped Cu) anchor *CO at dopant sites, suppressing migration and increasing C–C coupling barriers. Conversely, weak M–C interactions (e.g., Zn-doped Cu) destabilize *CO adsorption, enabling its migration between Cu sites and reducing C–C coupling energy barriers compared to pristine Cu. We propose an assisted-diffusion mechanism in which dopants with weak M–C interactions promote *CO migration for C–C coupling by acting as diffusion mediators rather than active adsorption sites, thereby enhancing the Faraday efficiency of the overall multicarbon product. These findings provide atomic-scale insights for designing high-activity Cu-based SAAs via the targeted modulation of dopant–C interactions.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"198 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spectroelectrochemical Properties of Floating Lipid Membranes in Tris Organic Buffer Tris有机缓冲液中浮脂膜的光谱电化学性质

IF 4.126 3区化学

The Journal of Physical Chemistry C Pub Date : 2025-10-15 DOI: 10.1021/acs.jpcc.5c00996

Marta Majewska, Justyna Bożek, Damian Dziubak, Sławomir Sęk, Izabella Brand

{"title":"Spectroelectrochemical Properties of Floating Lipid Membranes in Tris Organic Buffer","authors":"Marta Majewska, Justyna Bożek, Damian Dziubak, Sławomir Sęk, Izabella Brand","doi":"10.1021/acs.jpcc.5c00996","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00996","url":null,"abstract":"In biologically and biotechnologically relevant applications, the use of organic biological buffers, e.g. Tris or HEPES, is essential to maintain the activity and stability of biomacromolecules. Knowledge of how organic biological buffers affect the properties of free-standing floating bilayers is very limited. In this work, the properties of floating lipid bilayers were investigated in Tris buffer solution. The model lipid bilayer contains zwitterionic, neutral, and negatively charged lipids, representing the composition of the outer segment of photoreceptor cells. The electrochemical characterization of the floating bilayer (membrane resistance, membrane conductance, and capacitance) differs significantly between Tris and inorganic electrolyte solutions. To discover the differences in the supramolecular structure of the floating model membrane which are introduced by a selection of an electrolyte solution, in situ infrared spectroscopies: polarization modulation infrared reflection absorption spectroscopy and surface-enhanced infrared absorption spectroscopy techniques, were used. The weakly hydrated [TrisH]+ is conducted through the floating lipid bilayer independently of the applied potential. Accumulation of [TrisH]+ in the spacer layer leads to the outflux of hydrated water molecules once the pores in the membrane at negative potentials are formed. The results described in this manuscript provide crucial information on the tuning of the properties of the spacer layer allowing for incorporation of transmembrane proteins of different sizes in the extra-membranous space aiming at construction of model outer segment membranes.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"8 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289372","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Li1.75Zr0.75Sb0.25Cl4.75O0.625 Oxyhalide Solid Electrolyte: Enhancing Performance by Regulating Phase Transition Li1.75Zr0.75Sb0.25Cl4.75O0.625氧化卤化物固体电解质：通过调节相变提高性能

IF 4.126 3区化学

The Journal of Physical Chemistry C Pub Date : 2025-10-15 DOI: 10.1021/acs.jpcc.5c05412

Pengfei Du, Peng Zhang, Zhenyang Shen, Yongmei Zhou, Qingtao Wang, Ying Liu

{"title":"Li1.75Zr0.75Sb0.25Cl4.75O0.625 Oxyhalide Solid Electrolyte: Enhancing Performance by Regulating Phase Transition","authors":"Pengfei Du, Peng Zhang, Zhenyang Shen, Yongmei Zhou, Qingtao Wang, Ying Liu","doi":"10.1021/acs.jpcc.5c05412","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05412","url":null,"abstract":"New types of halides have garnered significant attention from researchers in the development of high-performance all-solid-state lithium-ion batteries due to their exceptional high-potential stability, high ionic conductivity, and favorable mechanical properties. Here, a mechanochemical ball milling method is employed to synthesize the Li2–2xZr1–2xSb2xCl6–10xO5x material by incorporating an appropriate amount of Sb–O into Li2ZrCl6. Experimental results and Rietveld refinement confirm the successful synthesis of a zirconium-based chloride-oxide solid electrolyte material (Li1.75Zr0.75Sb0.25Cl4.75O0.625). Due to the incorporation of Sb5+, which has a smaller ionic radius but a higher valence state, the volume of the condensed crystal lattice decreased, while the number of lithium vacancies increased. The incorporation of O2– induced a phase transition in the crystal structure, leading to the redistribution of lithium ions. The combined effects of these factors enhanced the ionic conductivity. The lithium-ion conductivity of the electrolyte at 25 °C is 4.2 × 10–4 S cm–1, and it possesses a wide electrochemical stability window (1.22–4.62 V vs Li+/Li). Simultaneously, Sb–O dual doping enhances the electrochemical reduction stability of Li2ZrCl6. The all-solid-state battery utilizing Li1.75Zr0.75Sb0.25Cl4.75O0.625 as the electrolyte and sc-NCM811 as the cathode demonstrates excellent cycling performance and a high capacity retention rate. These investigations offer a promising strategy for the rational design of zirconium-based halide solid-state electrolytes, which are essential for the development of high-performance all-solid-state batteries.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"2 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nitrogen-Induced Defects in VSe2 Studied by Scanning Tunneling Microscopy 用扫描隧道显微镜研究VSe2中氮致缺陷

IF 4.126 3区化学

The Journal of Physical Chemistry C Pub Date : 2025-10-15 DOI: 10.1021/acs.jpcc.5c05337

U. Chazarin, M. Lezoualc’h, W. W. Pai, R. Sankar, C. Chacon, Y. Girard, C. González, A. Smogunov, Y. J. Dappe, J. Lagoute

{"title":"Nitrogen-Induced Defects in VSe2 Studied by Scanning Tunneling Microscopy","authors":"U. Chazarin, M. Lezoualc’h, W. W. Pai, R. Sankar, C. Chacon, Y. Girard, C. González, A. Smogunov, Y. J. Dappe, J. Lagoute","doi":"10.1021/acs.jpcc.5c05337","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05337","url":null,"abstract":"Atomic-scale studies of dopants in transition metal dichalcogenides (TMDs) are important for tailoring their physical and chemical properties and provide a clearer picture of structure–property correlations. Nitrogen atoms as dopants in TMD materials promise tuning of carrier type and enhanced catalytic properties, however, experimental studies have rarely addressed their atomic-scale details. Here, we present a study of nitrogen dopants in nitrogen-plasma-treated 1T-phase VSe2 bulk crystals by scanning tunneling microscopy (STM) and spectroscopy (STS). Three main N-induced species are classified. One type (type-I) is shown to be substitutional N atoms at the bottom-layer Se sites. Type-II has a not-yet-determined structure. The final type-III N atom is an adsorbed N atom at quasi-bridge sites between Se atoms. This N atom species exhibits distinct tip-induced dynamical motion. Density functional theory (DFT) calculations corroborate experimental STM and STS features, lending support to the proposed models. These results highlight the great variety of even simple atomic dopants in TMD materials and the need to finely control their properties for future applications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"1 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289156","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quantitative Correlation between Ligand Shell Composition and Photoluminescence in CsPbBr3 Nanocrystals with Mixed Didodecyldimethylammonium Bromide and Oleic Acid Ligands 二十二烷基二甲基溴化铵与油酸混合配体CsPbBr3纳米晶体配体壳组成与光致发光的定量相关性

IF 4.126 3区化学

The Journal of Physical Chemistry C Pub Date : 2025-10-14 DOI: 10.1021/acs.jpcc.5c05690

Diana T. Reyes-Castillo, Yoarhy A. Amador-Sánchez, Diego Solis-Ibarra, Daniel Finkelstein-Shapiro

{"title":"Quantitative Correlation between Ligand Shell Composition and Photoluminescence in CsPbBr3 Nanocrystals with Mixed Didodecyldimethylammonium Bromide and Oleic Acid Ligands","authors":"Diana T. Reyes-Castillo, Yoarhy A. Amador-Sánchez, Diego Solis-Ibarra, Daniel Finkelstein-Shapiro","doi":"10.1021/acs.jpcc.5c05690","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05690","url":null,"abstract":"The optoelectronic properties of halide perovskite nanocrystals are strongly determined by their surface chemistry; therefore, their improvement hinges on a detailed understanding and control of their surface properties. Given that most recombination occurs at the surface, the ligand-induced reconstruction of the lattice can remove or add trapping sites that increase or decrease the emission quantum yield. Great strides have been made in elucidating the binding sites of different ligands along with their modification of the energy levels. However, quantitative measurement has not been fully achieved. In this work, we present a quantitative correlation between the composition of a mixed-ligand shell containing oleic acid (OA) and didodecyldimethylammonium bromide (DDAB) and the photoluminescence of CsPbBr3. We identify three different regions corresponding to three different ligand shell compositions with their associated recombination dynamics and find that an added concentration of 0.5 mM of DDAB results in a surface with both Pb and Br defects maximally passivated by the ligand shell.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"91 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289157","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Physicochemical Activation for Synergistic Porosity and Functionality Tuning in Supercapacitor Carbon Electrodes 超级电容器碳电极协同孔隙度和功能调谐的物理化学活化

IF 4.126 3区化学

The Journal of Physical Chemistry C Pub Date : 2025-10-14 DOI: 10.1021/acs.jpcc.5c04737

Zhixin Wan, Meng Shen, Jingping Yang, Jun Liao, Tengfei Zhang, Junzhe Li, Woo-Jea Lee, Se-Hun Kwon, Shihong Zhang

{"title":"Physicochemical Activation for Synergistic Porosity and Functionality Tuning in Supercapacitor Carbon Electrodes","authors":"Zhixin Wan, Meng Shen, Jingping Yang, Jun Liao, Tengfei Zhang, Junzhe Li, Woo-Jea Lee, Se-Hun Kwon, Shihong Zhang","doi":"10.1021/acs.jpcc.5c04737","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c04737","url":null,"abstract":"Carbon-based supercapacitor electrodes face critical challenges, including disordered pore architecture, surface inertness, and insufficient graphitization, leading to compromised electron transport and interfacial reactivity. This study systematically investigates the effects of physical or chemical activation strategies on the structural and electrochemical properties of carbon electrode materials. Comparative analysis reveals that physical activation (N2/CO2 annealing) primarily induces partial graphitization and moderate particle refinement, while chemical activation involving melamine-assisted heteroatom doping followed by NaOH etching enables comprehensive structural reorganization. The optimized process converts the particle structure into three-dimensional interconnected porous frameworks with enhanced surface functionality. The chemically activated N doped hierarchical porous carbon frameworks (N-CNFs) exhibit (1) hierarchical porosity with optimized meso/micropore coexistence, (2) effective nitrogen incorporation generating redox-active sites, (3) improved charge transfer kinetics through structural graphitization, (4) electrochemical evaluation demonstrates exceptional performance metrics with high specific capacitance of 443 F g–1 at 1 A g–1, outstanding cycling stability with 100% capacitance retention after 10,000 cycles at 10 A g–1 and maximum energy/power density of 21.25 Wh kg–1 and 15.0 kW kg–1. This work establishes a paradigm for developing advanced carbon electrodes through coordinated microstructure engineering and surface chemistry modulation, providing critical insights into structure–property relationships for energy storage applications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"1 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145288978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unveiling the Facet-Dependent Interfacial Chemistry and Kinetics in Nanostructured Anatase TiO2 for Li+ Storage 揭示纳米结构锐钛矿TiO2存储Li+的界面化学和动力学

IF 4.126 3区化学

The Journal of Physical Chemistry C Pub Date : 2025-10-14 DOI: 10.1021/acs.jpcc.5c05766

Vahid Charkhesht, Mohammed Ahmed Zabara, Selmiye Alkan Gürsel, Alp Yürüm

{"title":"Unveiling the Facet-Dependent Interfacial Chemistry and Kinetics in Nanostructured Anatase TiO2 for Li+ Storage","authors":"Vahid Charkhesht, Mohammed Ahmed Zabara, Selmiye Alkan Gürsel, Alp Yürüm","doi":"10.1021/acs.jpcc.5c05766","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05766","url":null,"abstract":"Titanium dioxide (TiO2), while being an affordable and stable anode material for Li-ion batteries, suffers from limited Li+ insertion kinetics. To overcome this, we comprehensively investigate the facet-dependent electrochemical dynamics by synthesizing three distinct single-crystal anatase TiO2 morphologies (cubic, truncated, and octahedral) with controlled exposure of {001}, {100}, and {101} facets. Combined electrochemical characterizations, rate testing, diffusion coefficient analysis, impedance spectroscopy, and postcycling structural probes reveal that morphologies enriched in high-energy {001} and {100} facets, cubic and truncated, show enhanced reversible capacity retention and higher effective Li+ diffusion coefficients compared with octahedral particles dominated by {101} facets. We show that these improvements arise from surface stabilization and less parasitic reactions. Beyond titania, this work establishes a transferable, materials-centric approach, facet-controlled synthesis coupled with multimodal electrochemical and structural interrogation, for isolating and understanding structure–transport relationships in any emerging electrode materials. These mechanistic insights reframe facet engineering as an active strategy for designing high-rate, long-life intercalation electrodes.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"20 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145288979","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unveiling Key Insights into the Strategic Design of Photocatalysts for Highly Selective CO2 Reduction to HCOOH: A Computational Study 揭示高选择性CO2还原为HCOOH光催化剂策略设计的关键见解：一项计算研究

IF 4.126 3区化学

The Journal of Physical Chemistry C Pub Date : 2025-10-14 DOI: 10.1021/acs.jpcc.5c04316

Ramesh Poonchi Sivasankaran, Long Yang, Mee Kyung Song, Amol Uttam Pawar, Jeongmin Kim, Young Soo Kang

{"title":"Unveiling Key Insights into the Strategic Design of Photocatalysts for Highly Selective CO2 Reduction to HCOOH: A Computational Study","authors":"Ramesh Poonchi Sivasankaran, Long Yang, Mee Kyung Song, Amol Uttam Pawar, Jeongmin Kim, Young Soo Kang","doi":"10.1021/acs.jpcc.5c04316","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c04316","url":null,"abstract":"Achieving carbon neutrality is a critical goal for addressing environmental issues, climate change, and energy needs. This can be accomplished by reducing atmospheric CO2 levels through capture and conversion into useful fuels or valuable chemicals. To support this goal, our research group recently developed a well-designed, multifunctional Ni-perylene-g-C3N4 photocatalyst that enables the highly selective production of formic acid from the CO2RR. In this study, we used density functional theory (DFT) calculations to investigate and predict the structural properties of hybrid photocatalysts, specifically, perylene-g-C3N4 (PCN) and M2+-PCN (M2+ = Co2+, Ni2+, Cu2+) nanosheets for CO2 reduction with high efficiency and product selectivity. Our computational results demonstrate that incorporating metal ions can effectively modulate photon absorption and the electronic structure, enhancing CO2 adsorption, activation, charge transfer, and intermediate adsorption by adjusting the coplanarity between perylene and g-C3N4. Our DFT computational calculations indicate that a controlled reaction pathway involving the sequential addition of two electrons and two protons can achieve the highly selective production of oxygenated formic acid: *CO2•– → *COOH/*OC(H)O → *COOH–/*OC(H)O– → HCOOH. This research provides a molecular-level understanding of the intermediate structures and mechanisms of the CO2RR, offering valuable insights for the design of efficient photocatalysts.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"1 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145288977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Directional Anchoring Cross-Linked Binder for High-Performance Silicon–Carbon Anodes in Li-Ion Batteries 高性能锂离子电池硅碳阳极的定向锚定交联粘结剂

IF 4.126 3区化学

The Journal of Physical Chemistry C Pub Date : 2025-10-14 DOI: 10.1021/acs.jpcc.5c05980

Xinyi Chen, Tao Huang, Aishui Yu

{"title":"Directional Anchoring Cross-Linked Binder for High-Performance Silicon–Carbon Anodes in Li-Ion Batteries","authors":"Xinyi Chen, Tao Huang, Aishui Yu","doi":"10.1021/acs.jpcc.5c05980","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05980","url":null,"abstract":"Silicon-based materials have garnered significant attention as anodes for Li-ion batteries due to their high theoretical capacity. However, the substantial volume expansion of silicon during cycling poses challenges such as particle pulverization and unstable solid electrolyte interface (SEI) formation. This study developed an in situ thermally cross-linked poly(acrylic acid)-tannic acid (PLT) binder with directional anchoring mechanisms to address the problems caused by volumetric expansion of silicon–carbon (Si/C) anodes. By incorporating tannic acid (TA) into the lithiated poly(acrylic acid) (PAALi) matrix, a directionally anchored cross-linked network with dual-interaction mechanisms was constructed: the aromatic moieties of TA establish robust π–π stacking interactions with graphitic carbon layers, while the carboxyl groups of PAALi form covalent esterification bonds, hydrogen bonds, and ionic dipole interactions with surface hydroxyl groups of silicon. This molecular-scale directional anchoring strategy significantly enhanced interfacial binding strength (180° peeling force of 2.6 N) and endowed the electrode with exceptional mechanical stability (elastic modulus of 6.03 GPa). Electrochemical tests demonstrated that the Si/C@PLT electrode delivered superior initial discharge capacity (1137.7 mAh/g) and capacity retention (90.02% after 100 cycles). The work provides a novel molecular engineering strategy for binder design in silicon-based composites, highlighting the critical role of interfacial directional anchoring in enhancing cycling stability for high-capacity electrodes.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"41 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145288980","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0