The Journal of Physical Chemistry C最新文献

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Capturing Even the Invisible: A Comprehensive Understanding of Methyl Viologen Adsorption Distribution on Clay Nanosheets 捕捉甚至看不见的:对甲基紫紫素在粘土纳米片上吸附分布的全面理解
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-10-01 DOI: 10.1021/acs.jpcc.6c04409
Emiko Nakayama, Yohei Ishida, Yoshinori Tahara, Tetsuya Shimada, Shinsuke Takagi
{"title":"Capturing Even the Invisible: A Comprehensive Understanding of Methyl Viologen Adsorption Distribution on Clay Nanosheets","authors":"Emiko Nakayama,&nbsp;Yohei Ishida,&nbsp;Yoshinori Tahara,&nbsp;Tetsuya Shimada,&nbsp;Shinsuke Takagi","doi":"10.1021/acs.jpcc.6c04409","DOIUrl":"10.1021/acs.jpcc.6c04409","url":null,"abstract":"<p>Fullyunderstanding how dye molecules distribute over a solid surfacedemands three things at once: capturing the entire population─includinga nonemissive component invisible to both steady-state fluorescenceand fluorescence-lifetime measurements─pinpointing the interactionsthat govern it, and proving that it can be deliberately controlled.Here, we achieved all three for the system of methyl viologen (MV<sup>2+</sup>) and synthetic saponite (SSA). First, using the differencebetween the emission-intensity ratio obtained by steady-state fluorescenceand that obtained from fluorescence lifetimes, we quantified the adsorptiondistribution─including the nonemissive H-aggregate that doesnot appear in fluorescence measurements─as three states: (i)isolated adsorbed monomers, (ii) closely spaced monomers self-quenchedby intermolecular electron transfer, and (iii) nonemissive H-aggregates.The H-aggregate population reached about 70% of all adsorbed speciesat a loading of 50% relative to the CEC. Second, a van’t Hoffanalysis of the equilibrium between the isolated and closely spacedmonomers separated Δ<em>H</em> (electrostatic attraction,which stabilizes the isolated arrangement) and Δ<em>S</em> (hydrophobic interaction, which stabilizes the closely spaced arrangement),showing that Δ<em>S</em> dominates at 293 K. Third,lengthening the alkyl chain from C1 to C8, which strengthens the hydrophobicinteraction without changing the cationic charge, shifted the closelyspaced (short-lifetime) fraction from 63% to 88%, thereby demonstratingcontrol of the adsorption distribution. Through quantification includingthe invisible component, thermodynamic understanding, and demonstratedcontrol, this work provides a comprehensive understanding of a complexadsorption distribution and a guideline for designing two-dimensionaldye arrays on inorganic surfaces.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14330–14338"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090627","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
Regulating Exciton Dynamics through Molecular Packing in Conjugated Polymer Nanoparticles for Photocatalytic H2O2 Production 通过分子包装调节共轭聚合物纳米颗粒光催化生产H2O2的激子动力学
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-10-02 DOI: 10.1021/acs.jpcc.6c05248
Avijit Patra, Soham Ghosh, Santanu Bhattacharyya
{"title":"Regulating Exciton Dynamics through Molecular Packing in Conjugated Polymer Nanoparticles for Photocatalytic H2O2 Production","authors":"Avijit Patra,&nbsp;Soham Ghosh,&nbsp;Santanu Bhattacharyya","doi":"10.1021/acs.jpcc.6c05248","DOIUrl":"10.1021/acs.jpcc.6c05248","url":null,"abstract":"<p>Herein, two different types of poly[(9,9-dioctylfluorenyl-2,7-diyl)-<em>co</em>-(1,4-benzo-{2,1’,3}-thiadiazole)] (PFBT) polymernanoparticles have been fabricated by varying the molecular packingthrough solution-based miniemulsion techniques at various surfactantconcentrations. The structural features and intermolecular interactionshave been correlated with the underlying photophysical properties.The results suggest that at higher surfactant concentrations, polymermolecules follow highly defined molecular arrangements which enhancethe effective π-conjugation within the nanoparticles. As a result,efficient charge separation is improved by minimizing the excitonbinding energy and increasing the exciton diffusion length. Furthermore,charge separation through highly defined molecular packing facilitatesthe intrinsic transient dipole moment in the excited state of thenanoparticle, providing an additional driving force to the excitondiffusion process. On the contrary, the random packing of the conjugatedpolymer molecules within nanoparticles hinders charge separation andfree carrier migration by creating unwanted defects or trap statesthroughout the nanoparticles, which essentially creates localizedstrong binding excitons. As a result, the photocatalytic activitydecreases. Overall, the present work defines a simple solution-basedstrategy to regulate exciton dynamics in conjugated polymer nanoparticlesand their utilization for photocatalytic H<sub>2</sub>O<sub>2</sub> production.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14119–14129"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090587","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
Distance and Coordination Synergy in FeCoNC Dual-Atom Catalysts: Volcano-Type Structure-Activity-Stability Relationship for the ORR FeCoNC双原子催化剂的距离和配位协同作用:ORR的火山型结构-活性-稳定性关系
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-10-01 DOI: 10.1021/acs.jpcc.6c05363
Shuang Huang, Na Yang, Qiong Xiang, Li Li, Zidong Wei
{"title":"Distance and Coordination Synergy in FeCoNC Dual-Atom Catalysts: Volcano-Type Structure-Activity-Stability Relationship for the ORR","authors":"Shuang Huang,&nbsp;Na Yang,&nbsp;Qiong Xiang,&nbsp;Li Li,&nbsp;Zidong Wei","doi":"10.1021/acs.jpcc.6c05363","DOIUrl":"10.1021/acs.jpcc.6c05363","url":null,"abstract":"<p>Developing non-precious-metal catalysts with high activityandstability for the oxygen reduction reaction (ORR) remains a centralchallenge for polymer electrolyte membrane fuel cells. While Fe–Codual-atom catalysts have attracted considerable interest, the interplaybetween Fe–Co distance and local coordination environment ingoverning activity and stability is not well understood. Here, wesystematically investigate FeCoNC models with varying Fe–Codistances and N coordination numbers using density functional theoryand ab initio molecular dynamics simulations. A clear structure–activity–stabilityrelationship emerges: the Fe–N<sub>4</sub>/Co–N<sub>4</sub> configuration at intermediate Fe–Co distance deliversoptimal overall performance, exhibiting low ORR overpotential andhigh electrochemical stability. This balanced behavior stems frommoderate Fe–Co d-orbital coupling, which tunes the spin densityand charge distribution to yield favorable adsorption strength, whileN<sub>4</sub> coordination and Fe–Co interaction strengthenmetal–support anchoring and suppress metal oxidation and dissolution.Excessively short Fe–Co distances with N<sub>2</sub>/N<sub>3</sub> coordination increase spin density and unbalance charge distribution,reducing activity and stability, whereas large separations weakendual-atom synergy, causing the sites to behave as isolated singleatoms. This work establishes a design principle for dual-atom ORRcatalysts: controlled Fe–Co spacing and N<sub>4</sub> coordinationenable balanced d-orbital coupling and charge transfer, achievingboth high activity and long-term stability.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14184–14192"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090623","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
Comment on “Homogeneous Catalysis of Electrochemical Reactions: The Steady-State Current and Turnover Frequency” 评《电化学反应的均相催化:稳态电流和周转频率》
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-09-29 DOI: 10.1021/acs.jpcc.6c04623
Christopher C. Tisdell
{"title":"Comment on “Homogeneous Catalysis of Electrochemical Reactions: The Steady-State Current and Turnover Frequency”","authors":"Christopher C. Tisdell","doi":"10.1021/acs.jpcc.6c04623","DOIUrl":"https://doi.org/10.1021/acs.jpcc.6c04623","url":null,"abstract":"","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14371–14372"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149188022","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
Resolving Overlapping Optical Transitions in CeO2 by Derivative Analysis of UV–Vis Spectra: Application to Au/CeO2 用紫外可见光谱导数分析解决CeO2中的重叠光学跃迁:在Au/CeO2中的应用
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-09-30 DOI: 10.1021/acs.jpcc.6c05148
Hicham Idriss, Ahmed Ziani, Muhammad Amtiaz Nadeem
{"title":"Resolving Overlapping Optical Transitions in CeO2 by Derivative Analysis of UV–Vis Spectra: Application to Au/CeO2","authors":"Hicham Idriss,&nbsp;Ahmed Ziani,&nbsp;Muhammad Amtiaz Nadeem","doi":"10.1021/acs.jpcc.6c05148","DOIUrl":"https://doi.org/10.1021/acs.jpcc.6c05148","url":null,"abstract":"<p>The effect of Aunanoparticles on the energy transitionand associatedband gap of CeO<sub>2</sub> has been studied by UV–vis absorbancethen analyzed by the Tauc, first derivative (dA/dλ), and secondderivative (d<sup>2</sup>A/dλ<sup>2</sup>) methods; A: absorbanceand λ: wavelength. CeO<sub>2</sub> mean particles size is ca.12 nm while those of Au were 4–7 nm for the investigated series(with Au wt % = 1, 2 and 4). For CeO<sub>2</sub>, two clear transitionsare observed and are attributed to O 2p to Ce 4f<sup>0</sup> (Ce<sup>4+</sup>) and O 2p to 4f<sup>0</sup>/4f<sup>1</sup> (Ce<sup>4+</sup> close to Ce<sup>3+</sup>/V<sub>O</sub>; V<sub>O</sub>: oxygen vacancy)with the former having a higher energy than the latter. The presenceof Au largely suppressed the weaker transition associated with defectsstates (Ce<sup>3+</sup>/V<sub>O</sub>). This was observed in the firstderivative plots where a blue-shift of 22 nm is seen and a narrowingof the Full Width at Half Maximum of peaks by up to 35 nm when comparedto CeO<sub>2</sub> alone. The second derivative plots showed a morepronounced shift at the low energy side with an extracted band gapenergy of 2.9 eV that shifted to 3.2 eV for 4 wt % Au/CeO<sub>2</sub>, while the high energy side (at ca. 3.6 eV) was largely unchanged.These changes, collectively attributed to Au particles, might be linkedto decreased defects centers in Au/CeO<sub>2</sub> catalysts whencompared to CeO<sub>2</sub> alone. Therefore, the first derivativegives qualitative assessment of the role of Au in CeO<sub>2</sub> forlight absorption while the second derivative gives a more quantitativeinformation on the optical transitions. On the contrary, the Taucplots, while identified both transitions, were insensitive.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14363–14370"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149188074","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
Ultrathin CeriumOxide Islands on Cu(111): Work Functionand Reaction with Oxygen and Hydrogen at RT Cu(111)上的超薄氧化铈岛:功函数及其与氧和氢的反应
IF 4.126 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 DOI: 10.1021/acs.jpcc.6c04325
Clemens Barth
{"title":"Ultrathin Cerium\u0000Oxide Islands on Cu(111): Work Function\u0000and Reaction with Oxygen and Hydrogen at RT","authors":"Clemens Barth","doi":"10.1021/acs.jpcc.6c04325","DOIUrl":"https://doi.org/10.1021/acs.jpcc.6c04325","url":null,"abstract":"Abstract Ultrathin oxide films can significantly change the work function (WF) of metal surfaces, with large consequences for the adsorption of nanoparticles and molecules on the films. In contrast to other oxides, little is known about the impact of ultrathin cerium oxide (ceria) films on the metal WF, particularly with regard to the reducibility of ceria. Here, it is shown that oxidized ceria islands in the submonolayer range reduce the WF of Cu(111) by at least −0.25 eV, while reduced ceria islands strongly decrease the metal WF by more than −1 eV, as measured by Kelvin probe force microscopy (KPFM) under ultrahigh-vacuum (UHV) conditions. A possible model suggests that the significant WF modifications upon reduction are due to an electron transfer from ceria’s oxygen vacancies into the Cu support, as most of the interfacial Ce ions are already in the 3+ state after the thin-film preparation. As observed by KPFM, reduced ceria islands become immediately oxidized at room temperature (RT) when exposed to a few Langmuir of O2 due to the filling of oxygen vacancies with O. In contrast, H2 at RT generally does not affect ceria, nor does it affect the WF.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"11 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209269","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
Triplet Excimer of TIPS-Anthracene in Solution 溶液中tips -蒽的三重态准分子
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-10-06 DOI: 10.1021/acs.jpcc.6c04793
Naoyuki Nishimura, Victor Gray, Jesse R. Allardice, Akshay Rao
{"title":"Triplet Excimer of TIPS-Anthracene in Solution","authors":"Naoyuki Nishimura,&nbsp;Victor Gray,&nbsp;Jesse R. Allardice,&nbsp;Akshay Rao","doi":"10.1021/acs.jpcc.6c04793","DOIUrl":"10.1021/acs.jpcc.6c04793","url":null,"abstract":"<p>Triplet excitons possess unique characteristics of longlifetimesand fission (singlet fission, SF)–fusion (triplet–tripletannihilation, TTA) features and hence have attracted considerableattention. Because the singlet–triplet transition is spin forbidden,leading to triplet states being optically “dark”, theinvestigation of triplet features is usually not easy. The existenceof triplet excimer-like excited states (T<sub>1</sub> + S<sub>0</sub>) has been debated over the past four decades. Among TTA and SF materials,bis[(triisopropylsilyl)ethynyl]anthracene(TIPS-Ac) is a prominent candidate since its highly efficient TTAhas been demonstrated. However, because photophysical studies of TIPS-Acare relatively nascent, its characteristics have remained elusive.Herein, we shed light on a novel feature of a triplet related excitedstate, which we assign as a triplet excimer of TIPS-Ac, in solutionusing pump–probe transient absorption (TA). This triplet excimerfeature in the TA spectrum is observed as a photoinduced absorption(PIA) peak at around 700 nm, following isolated triplet PIA, withtriplet sensitization and triplet generation via bimolecular interactionconverting singlet to triplet excitons (e.g., SF). Moreover, the kineticsof TTA with the triplet sensitized TIPS-Ac in solution, combined withthe triplet excimer feature, suggests that dissociation of the tripletexcimer reproduces isolated triplets (T<sub>1</sub>) at room temperature,allowing for a longer existence of triplet excitons in the systemby circumventing the consumption of triplet excitons via TTA (viz.,triplet reservoir effects), which could be useful for the long-distancetransportation of triplet excitons. This work provides valuable guidancefor further advancement of the triplet related reactions, includingTTA, SF, and beyond.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14109–14118"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092248","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
The Interplay of Phonons and Subgap States Governs Ultrafast Carrier Dynamics in Layered HgPSe3 声子与子隙态的相互作用控制层状HgPSe3中的快速载流子动力学
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-10-01 DOI: 10.1021/acs.jpcc.6c03448
Alessandro Baserga, Miłosz Rybak, Micol Bertolotti, Antonella Treglia, Samim Sardar, Valentino Jadriško, Matteo Ghezzi, Giuseppe Maria Paternò, Cosimo D’Andrea, Annamaria Petrozza, Zdenek Sofer, Artur P. Herman, Robert Kudrawiec, Giulio Cerullo, Giulia Folpini, Nikolas Antonatos, Christoph Gadermaier, Stefano Dal Conte
{"title":"The Interplay of Phonons and Subgap States Governs Ultrafast Carrier Dynamics in Layered HgPSe3","authors":"Alessandro Baserga,&nbsp;Miłosz Rybak,&nbsp;Micol Bertolotti,&nbsp;Antonella Treglia,&nbsp;Samim Sardar,&nbsp;Valentino Jadriško,&nbsp;Matteo Ghezzi,&nbsp;Giuseppe Maria Paternò,&nbsp;Cosimo D’Andrea,&nbsp;Annamaria Petrozza,&nbsp;Zdenek Sofer,&nbsp;Artur P. Herman,&nbsp;Robert Kudrawiec,&nbsp;Giulio Cerullo,&nbsp;Giulia Folpini,&nbsp;Nikolas Antonatos,&nbsp;Christoph Gadermaier,&nbsp;Stefano Dal Conte","doi":"10.1021/acs.jpcc.6c03448","DOIUrl":"10.1021/acs.jpcc.6c03448","url":null,"abstract":"<p>Two-dimensional van der Waals materials display richnonequilibriumphysics due to their reduced dimensionality and strong light–matterinteractions. Layered metal phosphorus trichalcogenides (MPX<sub>3</sub>) feature bandgaps spanning the visible to ultraviolet range andexhibit a complex interplay between excitons, phonons, and defects.Here we use static and time-resolved photoluminescence and femtosecondbroadband transient reflectivity to investigate the temperature-dependentultrafast carrier dynamics in layered HgPSe<sub>3</sub>, a semiconductorwith a quasi-direct bandgap near 2 eV. We identify distinct sub-bandgapphotoluminescence features that become prominent at low temperature.Their temperature and fluence dependence strongly indicate radiativerecombination involving localized states. The transient reflectivitymap displays three features associated with interband optical transitionsin the visible range, as corroborated by density functional theoryband structure calculations. These features exhibit fluence-dependentdecay dynamics, indicating a competition between carrier localizationinto sub-bandgap states, state-filling effects that limit the availableelectronic phase space for hot-carrier relaxation, and phonon-bottleneck-limitedcarrier cooling. Our results provide new insights into the ultrafastcarrier dynamics of HgPSe<sub>3</sub> and establish a framework forunderstanding the role of sub-bandgap states in MPX<sub>3</sub> semiconductors,with potential implications for broadband optoelectronic and photodetectionapplications.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14220–14229"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092250","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
Influence of Mo and Co Incorporation on Electrochemical Kinetics and Sodium-Storage Behavior of Prussian Blue Analogue Cathodes Moand Co掺入对普鲁士蓝模拟阴极电化学动力学和钠储存行为的影响
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-10-06 DOI: 10.1021/acs.jpcc.6c04540
Ewelina Rudnicka, Manuela Skowron, Damian Burzyński, Karol Rytel, Beata Kurc
{"title":"Influence of Mo and Co Incorporation on Electrochemical Kinetics and Sodium-Storage Behavior of Prussian Blue Analogue Cathodes","authors":"Ewelina Rudnicka,&nbsp;Manuela Skowron,&nbsp;Damian Burzyński,&nbsp;Karol Rytel,&nbsp;Beata Kurc","doi":"10.1021/acs.jpcc.6c04540","DOIUrl":"10.1021/acs.jpcc.6c04540","url":null,"abstract":"<p>Prussian blue analogues (PBAs) are promising cathodematerialsfor sodium-ion batteries; however, their electrochemical performanceis often limited by sluggish charge-transfer kinetics and poor electronicconductivity. In this work, the influence of Mo and Co incorporationon the electrochemical kinetics and sodium-storage mechanism of PBAcathodes was systematically investigated using temperature-dependentelectrochemical impedance spectroscopy, Arrhenius analysis, exchangecurrent density calculations, cyclic voltammetry, and Dunn analysis.Co-PBA exhibited diffusion-dominated sodium storage with the highestcharge-transfer resistance, the largest activation energy<span><span></span><math><mo>(</mo><msubsup><mrow><mi>E</mi></mrow><mrow><mrow><mi>C</mi></mrow><mrow><mi>T</mi></mrow></mrow><mrow><mo>#</mo></mrow></msubsup><mo>=</mo><mn>23.102</mn><mo>⁡</mo><mi>kJ</mi><mo>⁡</mo><msup><mrow><mi>mol</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup><mo>)</mo></math>⁠</span>, and the lowest exchange current density.In contrast, Mo incorporation significantly improved the electrochemicalresponse by lowering activation barriers and promoting surface-controlledcharge-storage processes. Among the investigated materials, MoCo-PBAexhibited the most balanced electrochemical performance, combiningthe lowest charge-transfer activation energy <span><span></span><math><mo>(</mo><msubsup><mrow><mi>E</mi></mrow><mrow><mrow><mi>C</mi></mrow><mrow><mi>T</mi></mrow></mrow><mrow><mo>#</mo></mrow></msubsup><mo>=</mo><mn>12.39</mn><mo>⁡</mo><mi>kJ</mi><mo>⁡</mo><msup><mrow><mi>mol</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup><mo>)</mo></math>⁠</span>, efficient interfacial charge transfer,improved reversibility, and mixed diffusion/pseudocapacitive chargestorage. BET analysis further revealed the highest specific surfacearea for MoCo-PBA, contributing to enhanced electrolyte accessibility.These findings demonstrate that simultaneous incorporation of Mo andCo effectively balances interfacial charge-transfer processes andNa<sup>+</sup> transport within the PBA framework, providing a promisingstrategy for the development of high-performance sodium-ion batterycathodes.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14097–14108"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092320","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
Strain-Switchable Piezovalley States in Janus Altermagnetic V2AsHO Janus AltermagneticV2AsHO的应变切换压电态
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-10-02 DOI: 10.1021/acs.jpcc.6c04254
Mingyu Lü, Yuping Tian, Chao-Bo Wang, Xuefeng Dai, Xudong Su, Lian-Lian Zhang, Xiangru Kong, Wei-Jiang Gong
{"title":"Strain-Switchable Piezovalley States in Janus Altermagnetic V2AsHO","authors":"Mingyu Lü,&nbsp;Yuping Tian,&nbsp;Chao-Bo Wang,&nbsp;Xuefeng Dai,&nbsp;Xudong Su,&nbsp;Lian-Lian Zhang,&nbsp;Xiangru Kong,&nbsp;Wei-Jiang Gong","doi":"10.1021/acs.jpcc.6c04254","DOIUrl":"10.1021/acs.jpcc.6c04254","url":null,"abstract":"<p>Altermagnetsenable momentum-dependent spin splitting without netmagnetization, but coupling such spin-split electronic states to switchablevalley and electromechanical degrees of freedom remains largely unexplored.Here, using first-principles calculations, we identify Janus monolayerV<sub>2</sub>AsHO as a two-dimensional altermagnetic semiconductorhosting strain-switchable piezovalley states. The compensated antiferromagneticground state exhibits pronounced momentum-dependent spin splitting,consistent with altermagnetic order. Owing to the broken out-of-planemirror symmetry of the Janus lattice, V<sub>2</sub>AsHO possessesa finite out-of-plane piezoelectric response. More importantly, uniaxialstrain lifts the degeneracy between the <em>X</em> and <em>Y</em> valleys and reversibly switches the valley polarization,whereas biaxial strain largely preserves their equivalence. Carrierdoping under uniaxial strain further induces a piezomagnetic response,linking the strain-induced valley imbalance to magneto-electromechanicalfunctionality. Polarization-dependent optical absorption exhibitsa strain-dependent anisotropy correlated with the piezovalley state.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14139–14145"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090597","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
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