The Journal of Physical Chemistry C最新文献

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Synergistic Dual-Site Coordination of a Multifunctional Phosphonate Additive for Efficient Perovskite Solar Cells 高效钙钛矿太阳能电池用多功能磷酸盐添加剂的协同双位配位
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.6c05683
Jiafu Li, Xu Wang, Jinbiao Jia, Yongzheng Zhang, Jia Dong
{"title":"Synergistic Dual-Site Coordination of a Multifunctional Phosphonate Additive for Efficient Perovskite Solar Cells","authors":"Jiafu Li,&nbsp;Xu Wang,&nbsp;Jinbiao Jia,&nbsp;Yongzheng Zhang,&nbsp;Jia Dong","doi":"10.1021/acs.jpcc.6c05683","DOIUrl":"10.1021/acs.jpcc.6c05683","url":null,"abstract":"<p>The accelerated evolutionary trajectory of perovskitesolar cellshas propelled them to the forefront as a preeminent candidate foraffordable and efficient renewable energy technologies. However, crystaldefects and bulk imperfections within the perovskite films criticallyundermine their photovoltaic performance, thereby hindering the commercialization.In this work, a multifunctional additive, diethyl (4-cyanobenzyl)phosphonate(D4CP), is incorporated into the perovskite precursor solution. Theoreticalevidence reveals that D4CP forms robust coordination with Pb<sup>2+</sup> ions via dual electron-donating pathways (P═O and C≡Nbonds). Moreover, experimental outcomes reveal that the strategicincorporation of D4CP improves the crystallization quality and systematicallypassivates defects within the perovskite films, thereby mitigatingdefect-assisted recombination. Ultimately, the champion device incorporatingD4CP achieves a peak PCE of 24.40%, outperforming the reference device(22.30%). The work positions D4CP as a transformative additive forperovskite solar cells that synergistically elevates PCE.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14130–14138"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092252","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
Origin of the Temperature-DependentRate Decline inToluene Hydrogenation 甲苯加氢过程中温度依赖性下降的原因
IF 4.126 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 DOI: 10.1021/acs.jpcc.6c04748
Sota Kuramoto,Yukari Yamazaki,Yusei Kudo,William J. Movick,Fuminao Kishimoto,Kazuhiro Takanabe
{"title":"Origin of the Temperature-Dependent\u0000Rate Decline in\u0000Toluene Hydrogenation","authors":"Sota Kuramoto,Yukari Yamazaki,Yusei Kudo,William J. Movick,Fuminao Kishimoto,Kazuhiro Takanabe","doi":"10.1021/acs.jpcc.6c04748","DOIUrl":"https://doi.org/10.1021/acs.jpcc.6c04748","url":null,"abstract":"Abstract Efficient hydrogenation of toluene (TOL), a representative liquid organic hydrogen carrier (LOHC), is important for establishing a carbon-neutral H2 supply chain. Although the temperature-dependent decline in aromatic hydrogenation rates has often been attributed to site blocking by strongly adsorbed species, direct experimental evidence for the formation and evolution of these species has remained limited. Here, TOL hydrogenation over Ni/Al2O3 and Pt/Al2O3 was investigated using kinetic measurements, temperature-programmed surface reaction (TPSR) with D2, temperature-programmed reduction coupled with mass spectrometry (TPR-MS), H2 regeneration tests, gas-switching experiments, and Raman spectroscopy. Over Ni/Al2O3, TOL was selectively hydrogenated to methylcyclohexane at 120 °C, whereas the TOL consumption rate decreased markedly at 180 °C under conditions far from thermodynamic equilibrium. A similarly suppressed hydrogenation regime was observed over Pt/Al2O3 at approximately 250–350 °C, demonstrating a strong dependence on the catalyst metal. Over Ni/Al2O3 at 180 °C, the apparent reaction order with respect to H2 exceeded 2, and the initial activity was fully restored by treatment under H2 at 600 °C, indicating that H2 participated in both TOL hydrogenation and the removal of persistent site-blocking species. During TPR-MS, TOL and benzene evolved from approximately 200 °C, supporting preservation of the six-membered carbon-ring framework in retained adsorbates. CH4 evolution began above approximately 250 °C and persisted beyond 500 °C, consistent with methyl-derived fragments remaining after benzene release and undergoing subsequent hydrogenative removal. At 300 °C over Ni/Al2O3, hydrodemethylation became the dominant reaction pathway. Gas-switching experiments from TOL/H2 to H2 produced a transient CH4 peak, indicating the accumulation of hydrogenatable carbonaceous species, and Raman spectroscopy confirmed the presence of disordered graphite-like carbon. These findings provide experimental support for kinetic inhibition by persistent ring-containing adsorbates at intermediate temperatures and associate higher-temperature hydrodemethylation with carbon accumulation and graphite-like carbon formation.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"16 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209268","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
Crystallographic and Spectroscopic Evidence of High-PressurePhase Transition of l -Histidine Methyl Ester Dihydrochloride l -组氨酸甲酯二盐酸盐高压相变的晶体学和光谱证据
IF 4.126 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 DOI: 10.1021/acs.jpcc.6c05663
Francisco Weldem S. de S Junior,João G. de Oliveira Neto,Alain Polian,Andrea Gauzzi,Keevin Béneut,Benoît Baptiste,C.A.A. S dos Santos,José G. da Silva Filho,Pedro F. Façanha Filho
{"title":"Crystallographic and Spectroscopic Evidence of High-Pressure\u0000Phase Transition of\u0000 l\u0000 -Histidine Methyl Ester Dihydrochloride","authors":"Francisco Weldem S. de S Junior,João G. de Oliveira Neto,Alain Polian,Andrea Gauzzi,Keevin Béneut,Benoît Baptiste,C.A.A. S dos Santos,José G. da Silva Filho,Pedro F. Façanha Filho","doi":"10.1021/acs.jpcc.6c05663","DOIUrl":"https://doi.org/10.1021/acs.jpcc.6c05663","url":null,"abstract":"Abstract We investigate the dependence of the structural and vibrational properties of l-histidine methyl ester dihydrochloride (LHMED) on high-pressure conditions in the range of 0.0–8.2 GPa. Combining single-crystal X-ray diffraction (SCXRD) and Raman spectroscopy, we found a reversible pressure-induced phase transition between 1.05 and 1.8 GPa, from monoclinic (P21) to triclinic (P1). XRD analysis reveals an abrupt unit cell volume reduction of approximately 5.50%, indicating a significant structural reorganization to accommodate the applied stress. High-pressure Raman spectra corroborate these findings, exhibiting discontinuities in the ω(P) slopes, the emergence of a new lattice mode, and various other bands associated with internal modes at 1.8 GPa, reflecting the symmetry reduction. Density Functional Theory (DFT) calculations using the Generalized Gradient Approximation-Tkatchenko-Scheffler (GGA-TS) functional were employed to obtain accurate vibrational assignments and validate the experimental lattice parameters. Furthermore, Hirshfeld surface and crystal void analyses demonstrate that the transition is driven by a redistribution of intermolecular contacts and the strengthening of the hydrogen-bond network, particularly N–H···Cl and C–H···Cl interactions. The data analysis yields a bulk modulus (K0 = 14.68 GPa), which indicates that LHMED is a soft molecular crystal. Our results show that the presence of a methyl ester group increases structural flexibility compared to nonmethylated l-histidine, leading to a conformational transition at lower pressure. Upon decompression, SCXRD showed that the original monoclinic phase is mostly recovered, highlighting remarkable crystalline memory and structural reversibility; however, Raman spectroscopy measurements during the pressure-release process, down to 0.7 GPa, revealed slight hysteresis, as indicated by subtle variations in some vibrational modes.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"86 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209284","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
Biased Diffusionof Quantum Dots on Lipid Bilayersin an Optical Trap 光阱中量子点在脂质双层上的偏置扩散
IF 4.126 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 DOI: 10.1021/acs.jpcc.6c05351
Shunya Moriyama,Yasushi Tanimoto,Kyoko Masui,Chie Hosokawa
{"title":"Biased Diffusion\u0000of Quantum Dots on Lipid Bilayers\u0000in an Optical Trap","authors":"Shunya Moriyama,Yasushi Tanimoto,Kyoko Masui,Chie Hosokawa","doi":"10.1021/acs.jpcc.6c05351","DOIUrl":"https://doi.org/10.1021/acs.jpcc.6c05351","url":null,"abstract":"Abstract Optical trapping provides a noncontact and nondestructive technique for manipulating micro- and nanoparticles with a focused laser beam. When the optical forces acting on individual nanoparticles are insufficient to achieve stable trapping, they induce a bias in Brownian diffusion toward the laser focus, resulting in the local accumulation of the nanoparticles. This optically biased diffusion presents a novel mechanism for regulating molecular assembly in two-dimensional membrane systems and provides a means to probe the lateral dynamics of membrane-associated biomolecules. In this study, we investigated the particle dynamics of quantum-dot-labeled streptavidin (QD-SA) bound to a supported lipid bilayer (SLB) in an optical trap. Single-particle tracking analysis of fluorescence images revealed that the diffusion coefficient of individual QD-SA particles on the SLB showed no systematic increase or decrease with increasing laser power, indicating that the optical forces were insufficient for the stable trapping of single nanoparticles on a two-dimensional membrane. In contrast, both the average transit time and the number of QD-SA particles within the laser focal spot tended to increase with increasing laser power. These results indicate that optical forces induce the biased diffusion of QD-SA particles toward the focal spot, leading to the local accumulation of multiple particles rather than the stable trapping of a single particle on the SLB. These findings demonstrate that the biased diffusion induced by optical forces can be exploited to control the spatiotemporal organization of membrane-associated molecules on the lipid bilayers.","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":"149209286","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 Effect of Oxygen Vacancies on Surface and Bulk Charge Storage in La0.5Sr0.5FeO3−δ 氧空位对La0.5Sr0.5FeO3−δ合金表面和电荷存储的影响
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-10-01 DOI: 10.1021/acs.jpcc.6c03001
Alexander V. Dmitriev, Elena V. Vladimirova, Anastasia A. Ivleva, Alexander D. Koryakov, Ilya S. Popov
{"title":"The Effect of Oxygen Vacancies on Surface and Bulk Charge Storage in La0.5Sr0.5FeO3−δ","authors":"Alexander V. Dmitriev,&nbsp;Elena V. Vladimirova,&nbsp;Anastasia A. Ivleva,&nbsp;Alexander D. Koryakov,&nbsp;Ilya S. Popov","doi":"10.1021/acs.jpcc.6c03001","DOIUrl":"10.1021/acs.jpcc.6c03001","url":null,"abstract":"<p>Oxygen vacancies are widely used to tune the electrochemicalperformanceof transition metal oxides, yet their isolated contribution to chargestorage remains difficult to quantify because vacancy concentrationand morphology typically change simultaneously. Here, we investigatethe effect of oxygen deficiency on charge storage in La<sub>0.5</sub>Sr<sub>0.5</sub>FeO<sub>3−δ</sub> (δ = 0.02–0.38)while keeping crystal structure, morphology, and specific surfacearea essentially unchanged. Hollow spherical particles were synthesizedby ultrasonic spray pyrolysis and reduced under controlled conditions.Electrochemical measurements in 3 M KOH reveal a pronounced maximumin specific capacity (0.2 Ah/g at 1 A/g), faradaic current, and heterogeneouselectron transfer rate at δ ≈ 0.05; higher vacancy concentrationsdegrade performance. Step potential electrochemical spectroscopy andelectrochemical impedance spectroscopy were used to separate surfaceand bulk charge storage contributions. X-ray photoelectron spectroscopyand electron paramagnetic resonance show that increasing δ sequentiallyreduces Fe<sup>4+</sup> to Fe<sup>3+</sup> and Fe<sup>2+</sup>, collapsingferromagnetic double-exchange clusters and electronic percolation.Complementing these experimental findings, density functional theory(DFT) calculations on La<sub>0.5</sub>Sr<sub>0.5</sub>FeO<sub>3-δ</sub> reveal a progressive suppression of the Fe 3d and O 2p partial densitiesof states at the Fermi level with increasing oxygen vacancy concentration,leading to a metal-to-insulator transition at δ ≈ 0.25,consistent with the observed degradation of electronic conductivityat high defect levels. The optimal electrochemical response thus arisesfrom a compromise between vacancy-enhanced electrolyte ions insertionand preserved electronic conductivity. These findings provide a rationalbasis for defect engineering in perovskite electrodes.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14297–14306"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090626","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
Reply to “Comment on ‘Homogeneous Catalysis of Electrochemical Reactions: The Steady-State Current and Turnover Frequency’” 对“电化学反应的均相催化:稳态电流和周转频率”的批注”的答复
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.6c04801
Manimegalai B, Swaminathan R, Michael E. G. Lyons, Rajendran L
{"title":"Reply to “Comment on ‘Homogeneous Catalysis of Electrochemical Reactions: The Steady-State Current and Turnover Frequency’”","authors":"Manimegalai B,&nbsp;Swaminathan R,&nbsp;Michael E. G. Lyons,&nbsp;Rajendran L","doi":"10.1021/acs.jpcc.6c04801","DOIUrl":"https://doi.org/10.1021/acs.jpcc.6c04801","url":null,"abstract":"","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14373–14375"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149188017","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
Germanium vs Silicon Bridge in Photoinduced Electron Transfer Leading to Blue Emission 锗与硅桥在导致蓝光发射的光致电子转移中的应用
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-10-02 DOI: 10.1021/acs.jpcc.6c04347
Malgorzata Bayda-Smykaj, Monika Ludwiczak, Magdalena Grzelak, Tomasz Pedzinski, Jacek Koput, Bronislaw Marciniak
{"title":"Germanium vs Silicon Bridge in Photoinduced Electron Transfer Leading to Blue Emission","authors":"Malgorzata Bayda-Smykaj,&nbsp;Monika Ludwiczak,&nbsp;Magdalena Grzelak,&nbsp;Tomasz Pedzinski,&nbsp;Jacek Koput,&nbsp;Bronislaw Marciniak","doi":"10.1021/acs.jpcc.6c04347","DOIUrl":"10.1021/acs.jpcc.6c04347","url":null,"abstract":"<p>The germanium-grafted compound with a Donor–Bridge–Acceptorarchitecture, (<em>E</em>)-3-(dimethyl(4-vinylstyryl)germyl)-9-isopropyl-carbazole(<strong>1</strong>), was designed and synthesized as a potential blue-lightemitter. Its previously reported silicon analogue (<strong>2</strong>)displays efficient blue-light emission resulting from photoinducedintramolecular electron transfer (ET) from carbazole to the divinylbenzenemoiety through the dimethylsilyl bridge. In the current work, comparativephotophysical studies combined with theoretical computations (DFTand NBO analysis) were aimed at understanding the role of the bridgeatom in the photoinduced electron transfer as the source of blue emission.It was found that similarities of the bridge atoms (Ge and Si) translateinto numerous similarities in the investigated organometallic compounds,endowing compounds <strong>1</strong> and <strong>2</strong> with unique propertiesand making them a good platform for complete electron transfer. Bycontrast, theoretical calculations of their carbon analogue (<strong>3</strong>) show that upon excitation only half of the electron chargecan be transferred from the donor to the acceptor part. Despite manysimilarities, replacing silicon with germanium atom leads to a significant(about 10-fold) diminution of the ICT fluorescence quantum yield,resulting from the internal heavy-atom effect of germanium. Enhancedintersystem crossing of compound <strong>1</strong> (15-times larger spin-orbitcoupling than that of compound <strong>2</strong>) competes with electrontransfer, making ET less efficient. Our findings show that the bridgeatom controls excited-state dynamics via the modulation of competingdeactivation pathways in the investigated systems.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14230–14240"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090591","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
Pronounced PhotoluminescenceEnhancement and NonmonotonicBandgap Evolution in 2D Ruddlesden–Popper Perovskites underHigh Pressure 高压下二维Ruddlesden-Popper钙钛矿的显著光致发光增强和非单调带隙演化
IF 4.126 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 DOI: 10.1021/acs.jpcc.6c05814
Linrui Li,Ruying Zhai,Jie Ling,Mingyu Pi,Yexiong Huang,Jingwen Yao,Shuaiqi Li,Dingke Zhang
{"title":"Pronounced Photoluminescence\u0000Enhancement and Nonmonotonic\u0000Bandgap Evolution in 2D Ruddlesden–Popper Perovskites under\u0000High Pressure","authors":"Linrui Li,Ruying Zhai,Jie Ling,Mingyu Pi,Yexiong Huang,Jingwen Yao,Shuaiqi Li,Dingke Zhang","doi":"10.1021/acs.jpcc.6c05814","DOIUrl":"https://doi.org/10.1021/acs.jpcc.6c05814","url":null,"abstract":"Abstract Pressure-induced optical modulation in two-dimensional Ruddlesden–Popper perovskites is intricately linked to the structural compressibility. Using (001)-oriented IBA2PbI4 single crystals, we combine in situ high-pressure spectroscopy with first-principles calculations to unveil a three-stage bandgap evolution─redshift, blueshift, and subsequent redshift─accompanied by a 20-fold photoluminescence enhancement at 0.58 GPa prior to quenching at 4.7 GPa. This nonmonotonic response originates from a compression-driven crossover from interlayer to intralayer deformation: initial interlayer contraction strengthens intermolecular coupling and suppresses nonradiative losses; intermediate intralayer compression induces octahedral distortion; and further pressurization triggers amorphization. Our findings provide a generalized mechanistic framework for tailoring optical functionalities in layered hybrid perovskites via hydrostatic pressure.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"1 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209289","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
Self-Assembly of Ordered Pt Complexes with Bidentate Ligands from Solution onto Graphite Surfaces 双齿配体有序铂配合物在石墨表面的自组装
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.6c02779
Yufei Bai, Steven L. Tait
{"title":"Self-Assembly of Ordered Pt Complexes with Bidentate Ligands from Solution onto Graphite Surfaces","authors":"Yufei Bai,&nbsp;Steven L. Tait","doi":"10.1021/acs.jpcc.6c02779","DOIUrl":"10.1021/acs.jpcc.6c02779","url":null,"abstract":"<p>Metal–ligandcoordination offers a versatile platform forprogramming on-surface nanostructures with well-defined geometriesand tunable coordination environments that are directly relevant tothe design of ligand-stabilized single-atom catalysts. While numerousstudies under ultrahigh vacuum conditions have established the principlesgoverning on-surface metal–ligand coordination on well-definedcrystalline substrates, similar coordination systems at the solution/solidinterface remain far less explored, despite their direct relevanceto solution-phase chemistry and catalytic processes. Here, we investigatethe self-assembly structures of 1,10-phenanthroline-5,6-dione (PDO)coordinated to Pt ions on highly oriented pyrolytic graphite (HOPG)using ambient scanning tunneling microscopy (STM). We demonstratethat monolayer assemblies of PDO and/or PDO-Pt complexes can be formedfrom solution phase PDO and Pt precursor salts. STM analysis revealsthat the on-surface assembly structures depend on the ligand-to-metalstoichiometry in the solution during assembly. The PDO ligand withoutmetal self-assembles into an ordered layer. Distinct 1:1 coordinationPDO-Pt one-dimensional chains, 2:1 coordination (PDO)<sub>2</sub>-Ptassembly, and mixed (PDO)<sub>2</sub>-Pt/PDO phases are observed,indicating that Pt coordination geometry and packing order could beprogrammed through stoichiometric control. These findings providefundamental insight for designing PDO-based single-site metal centerson support surfaces, thereby offering a model system for understandingon-surface structures of ligand-coordinated metal complexes.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14289–14296"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090594","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
Intrinsic Self-Rectification and Analogue Resistive Switching in Single-Component Polymeric Graphitic Carbon Nitride for Neuromorphic Applications 用于神经形态应用的单组分聚合物石墨氮化碳的本征自整流和模拟电阻开关
IF 3.4 3区 化学
The Journal of Physical Chemistry C Pub Date : 2026-10-15 Epub Date: 2026-10-05 DOI: 10.1021/acs.jpcc.6c02623
Elsa Susan Zachariah, Josmi John, Rejani V. Koshy, Pristin Thomas Kuruvila, Akhila S. Prakash, Vinoy Thomas, Rejeena, I
{"title":"Intrinsic Self-Rectification and Analogue Resistive Switching in Single-Component Polymeric Graphitic Carbon Nitride for Neuromorphic Applications","authors":"Elsa Susan Zachariah,&nbsp;Josmi John,&nbsp;Rejani V. Koshy,&nbsp;Pristin Thomas Kuruvila,&nbsp;Akhila S. Prakash,&nbsp;Vinoy Thomas,&nbsp;Rejeena, I","doi":"10.1021/acs.jpcc.6c02623","DOIUrl":"10.1021/acs.jpcc.6c02623","url":null,"abstract":"<p>The increasing computational demands of artificial intelligenceand data-centric technologies expose fundamental limitations of conventionalvon Neumann architectures, particularly due to latency and high-powerconsumption caused by excessive data movement. Memristive devicesthat integrate memory and computation within a single structure offera promising route toward energy-efficient in-memory and neuromorphicsystems. A simple, solution-processed, single-component Ag/g-C<sub>3</sub>N<sub>4</sub>/ITO resistive switching (RS) device based ongraphitic carbon nitride (g-C<sub>3</sub>N<sub>4</sub>) nanosheetsis demonstrated. The device exhibits stable analogue resistive switchingwith intrinsic self-rectifying behavior. Unlike conventional binarydevices, it shows gradual and controllable conductance modulationunder consecutive voltage sweeps and pulse stimulation, enabling reliablesynaptic weight updates. A rectification ratio of ∼5 providesinherent nonlinearity, supporting sneak-path suppression without additionalselector elements. The device maintains stable endurance over 100cycles and retention up to 10<sup>4</sup> s, and demonstrates clearpotentiation-depression characteristics under pulsed operation. Conductionanalysis indicates a transition from quasi-Ohmic behavior to Schottkyemission and trap-controlled space-charge-limited conduction (SCLC),suggesting that switching is governed by interface barrier modulationand trap-assisted transport. The structural simplicity, analogue switchingcapability, intrinsic rectification, and low-power operation highlightthe potential of g-C<sub>3</sub>N<sub>4</sub>-based devices for artificialsynapses and neuromorphic computing applications.</p>","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"130 41","pages":"14266–14276"},"PeriodicalIF":3.4,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090589","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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