The Journal of Physical Chemistry Letters最新文献_第5页

The Seasons of a Career in Physical Chemistry: Himansu S. Biswal 物理化学生涯的季节：Himansu S. Biswal

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-15 DOI: 10.1021/acs.jpclett.6c03274

Himansu S. Biswal, Gemma C. Solomon, Joan-Emma Shea, Gregory D. Scholes

引用次数: 0

Reimpregnationof Disordered Mesopores by Ionic Liquids 离子液体对无序介孔的再浸渍

IF 6.475 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-15 DOI: 10.1021/acs.jpclett.6c02466

Cansu Akkaya,Julian Oberdisse,Johan G. Alauzun,Thomas Bizien,Peter Hesemann,Anne-Caroline Genix

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An Energy Landscape for Elemental Carbon 单质碳的能源景观

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-15 Epub Date: 2026-08-21 DOI: 10.1021/acs.jpclett.6c02357

Vilmos Neuman, Soon Woo Park, Mark Wilson, David J. Wales

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Tuning the Lifetime and Spectral Readout of Single-Atom Magnets with a Vector Magnetic Field 矢量磁场下单原子磁体寿命和光谱读数的调谐

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-15 Epub Date: 2026-10-01 DOI: 10.1021/acs.jpclett.6c02503

Zilong Wu, Shijie Li, Jing Chen, Hao Wang, Peng Fan, Kai Yang

{"title":"Tuning the Lifetime and Spectral Readout of Single-Atom Magnets with a Vector Magnetic Field","authors":"Zilong Wu, Shijie Li, Jing Chen, Hao Wang, Peng Fan, Kai Yang","doi":"10.1021/acs.jpclett.6c02503","DOIUrl":"10.1021/acs.jpclett.6c02503","url":null,"abstract":"Magnetic atoms on insulating films are promising candidatesforinformation storage at the atomic scale, but practical operation requirestheir magnetic lifetimes and readout to be controllable. Here, westudy holmium (Ho) single-atom magnets on MgO using electron spinresonance scanning tunneling microscopy. The two magnetic states ofHo are written by current-induced switching with a spin-polarizedtip and read remotely through the ESR resonance frequency of a nearbyTi atom, which senses the Ho dipolar field. By atomic manipulation,we construct a two Ho/one Ti structure in which the four Ho magneticconfigurations are resolved as distinct Ti resonance frequencies andremain stable for up to 12 h. Rotating the external magnetic fieldchanges the projection of the Ho dipolar fields onto the Ti-sensingaxis, allowing the frequency separation between different magneticconfigurations to be tuned. The same vector field control also modifiesthe Ho lifetime, while spatial mapping with the spin-polarized tipreveals a strong dependence of the switching dynamics on the localtip position. These results demonstrate vector field control of boththe lifetime and frequency-resolved readout of surface-supported single-atommagnets.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"17 41","pages":"11731–11737"},"PeriodicalIF":4.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090989","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}

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A Carbonyl-Rich Conjugated Microporous Polymer for Highly Efficient Lithiumion Storage 高效锂离子存储的富羰基共轭微孔聚合物

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-15 Epub Date: 2026-10-05 DOI: 10.1021/acs.jpclett.6c02264

Xiaorong Wang, Mengdi Yu, Jianjiang He, Bowen Liu, Haiyan Cui, Wei Zhao, Jingjiang Sun, Qingfu Wang

{"title":"A Carbonyl-Rich Conjugated Microporous Polymer for Highly Efficient Lithiumion Storage","authors":"Xiaorong Wang, Mengdi Yu, Jianjiang He, Bowen Liu, Haiyan Cui, Wei Zhao, Jingjiang Sun, Qingfu Wang","doi":"10.1021/acs.jpclett.6c02264","DOIUrl":"10.1021/acs.jpclett.6c02264","url":null,"abstract":"Organic electrode materials are promising candidatesfor lithium-ionbatteries (LIBs) due to their structural tunability and inherent flexibility.However, their practical application is hindered by poor electronicconductivity and the dissolution of active species. Herein, we reportthe rational design of a 2D carbonyl-functionalized graphyne (CfGY),constructed from a conjugated carbon skeleton and abundant carbonylactive sites via a Sonogashira cross-coupling reaction. The conductivesp–sp2 hybridized backbone, hierarchical mesoporousnetwork and expanded interlayer spacing jointly facilitate rapid electronconduction (Eg = 1.95 eV) and Li+ migration (DLi+ = 1 ×10–11 cm2 s–1). Synergisticlithium storage across carbonyl groups, alkyne linkages and aromaticrings reinforces structural robustness and elevates reversible capacity.After 340 cycles at 0.1 A g–1, the self-supportingCfGY electrode retains a high capacity of 987 mAh g–1, while sustaining steady 420 mAh g–1 over 800long cycles at 1 A g–1 with negligible capacitydecay. This backbone functionalization strategy unifies frameworkconductivity and multisite redox reactivity, delivering a generalizableguideline for developing high-stability, high-capacity organic anodesfor next-generation lithium-ion batteries.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"17 41","pages":"11738–11746"},"PeriodicalIF":4.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149091603","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}

引用次数: 0

Cavity-Assisted High-Efficiency Excitation of High-Q Quasi-BIC Resonance in the Hexagonal Non-Close-Packed Ellipsoidal Silver-Shells Array 六方非密包银壳阵列中高Q准bic共振的腔助高效激发

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-15 Epub Date: 2026-10-05 DOI: 10.1021/acs.jpclett.6c02404

Ping Gu, Jun Cao, Ke Shen, Xiaolei Li, Huangjian Yang, Jing Chen, Zhendong Yan, Wei Du, Jiangle He, Guangxu Su, Zhuo Chen, Zuxing Zhang

{"title":"Cavity-Assisted High-Efficiency Excitation of High-Q Quasi-BIC Resonance in the Hexagonal Non-Close-Packed Ellipsoidal Silver-Shells Array","authors":"Ping Gu, Jun Cao, Ke Shen, Xiaolei Li, Huangjian Yang, Jing Chen, Zhendong Yan, Wei Du, Jiangle He, Guangxu Su, Zhuo Chen, Zuxing Zhang","doi":"10.1021/acs.jpclett.6c02404","DOIUrl":"10.1021/acs.jpclett.6c02404","url":null,"abstract":"Simultaneouslyachieving high-Q and intense plasmonicquasi-bound states in the continuum (qBICs) modes under normal incidenceis beneficial for applications such as nanosensors and nanolasers,which is, however remaining a great challenge due to the huge absorptionloss of metals. Here, we theoretically demonstrate that a hexagonalnon-close-packed array of silver nanoshells supports qBICs under obliqueincidence, arising from the excitation of the electric-octupole sphereplasmon. Second, the qBIC mode can be efficiently excited by usingan ellipsoidal silver-shells at normal incidence, which remains atunable high Q-factor (614), a large Purcell factor(234.5), a large near-field enhancement (|E| ∼27.9) and a strong absorption intensity of qBIC (∼0.39), indicatingthat the ellipsoidal silver-shells and a dielectric-core (cavity)are playing critical roles. Meanwhile, the observed qBIC modes furtherpresent pronounced polarization sensitivity and high tunability atnormal incidence. Finally, we show that it can be employed to realizea dye-based nanolaser with a lasing threshold as low as 85.8 cm–1.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"17 41","pages":"11845–11853"},"PeriodicalIF":4.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149091605","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}

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Spins Afar─Long-Range Pulse Dipolar EPR Spectroscopy Uncovers Curvature in TRIM25’s Coiled Coil 自旋远──远距脉冲偶极EPR光谱──覆盖TRIM25线圈的曲率

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-15 Epub Date: 2026-10-05 DOI: 10.1021/acs.jpclett.6c02671

Yannik Limbach, Katrin Ackermann, Aisika Chakraborty, David G. Norman, Bela E. Bode

引用次数: 0

Resolving the Nature of the Lowest-Frequency Raman Mode of Liquid Water 解析液态水最低频率拉曼模的性质

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-15 Epub Date: 2026-10-05 DOI: 10.1021/acs.jpclett.6c02937

Florian Pabst, Harald Forbert, Dominik Marx

引用次数: 0

Reactive Resonancesin the Cl + CHD3( v CH = 1) →HCl + CD3 Reaction Cl + CHD3（v CH = 1）→HCl + CD3反应中的反应共振

IF 6.475 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-15 DOI: 10.1021/acs.jpclett.6c02913

Jiaxuan Wang,Zhaojun Zhang,Shu Liu,Dong H. Zhang

{"title":"Reactive Resonances\u0000in the Cl + CHD3(\u0000 v\u0000 CH = 1) →\u0000HCl + CD3 Reaction","authors":"Jiaxuan Wang,Zhaojun Zhang,Shu Liu,Dong H. Zhang","doi":"10.1021/acs.jpclett.6c02913","DOIUrl":"https://doi.org/10.1021/acs.jpclett.6c02913","url":null,"abstract":"Abstract The stretch excited Cl + CHD3(vCH = 1) → HCl + CD3 reaction is experimentally known to involve resonances supported by a significant chemical bond-softening vibrational adiabatic potential well located at the transition state; however, theoretical differential cross sections (DCSs) that can be directly compared with experiments, as well as a detailed theoretical analysis of the resonances, remain lacking. In this Letter, we report the first seven-dimensional state-to-state quantum DCS for this reaction at collision energies up to 0.1 eV on a highly accurate fundamental invariant neural network potential energy surface. The product vibrational and rotational state distributions, as well as the angular distributions, yield qualitative agreement with available experimental results. For the HCl(v1 = 0) + CD3(v2 = 0–4) channels, we observed two distinctive peaks at Ec = 0.004 and 0.056 eV in the backward-scattering DCS, originating from Feshbach resonances via vibrationally nonadiabatic decay. The predominantly forward-scattered HCl(v1 = 1) + CD3(v2 = 0) products are attributed to shape resonances of the Cl···H···CD3 complex, which exhibit an intricate nodal structure in the scattering wave function due to the heavy–light–heavy character of the system.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"412 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209839","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}

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Hydrogen Bonding in Supercritical Water Using Quantum Molecular Dynamics 利用量子分子动力学研究超临界水中的氢键

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-15 Epub Date: 2026-09-29 DOI: 10.1021/acs.jpclett.6c02526

Nitish Baradwaj, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta

引用次数: 0