物理化学学报最新文献

{"title":"Cr-doped lithium-rich manganese-based materials as a cathode for high-performance all-solid-state lithium batteries","authors":"Keke Gao,&nbsp;Haozhe Xu,&nbsp;Xingkun Liu,&nbsp;Chunwen Sun","doi":"10.1016/j.actphy.2025.100200","DOIUrl":"10.1016/j.actphy.2025.100200","url":null,"abstract":"<div><div>With prospects for high energy density and safety, all-solid-state lithium-ion batteries (ASSLBs) with lithium-rich manganese-based materials (LRMs) are exploited as next-generation energy storage systems. However, the severe interfacial degradations with halide solid electrolytes (SEs) caused by the irreversible oxygen release remain to be urgently solved. In this work, we synthesized Cr-substituted LRMs with high capacity and stability. The reversible redox of Cr³⁺/Cr⁶⁺ contributes to an enhanced capacity, accompanied by the reversible migration of Cr⁶⁺ ions between octahedral and tetrahedral sites, effectively maintaining the structural stability of LRMs. Meanwhile, the strong Cr–O bond can stabilize the lattice oxygen, establish a stable cathode/electrolyte interface, and alleviate the voltage decay. Therefore, the ASSBs with LRMs-Cr0.1 cathode and halide electrolyte show an excellent cycling stability with 0.065 % capacity decay per cycle for 500 cycles at 0.5<em>C</em>. Notably, the LRMs-Cr0.1//Li₂₁Si₅@Si/C full cell exhibits outstanding long-term cyclability over 1000 cycles with nearly 100 % capacity retention at 0.3<em>C</em>, corresponding to an energy density of 413.11 Wh kg⁻¹. This work provides guidance for developing high energy-density solid-state batteries.</div></div>","PeriodicalId":6964,"journal":{"name":"物理化学学报","volume":"42 3","pages":"Article 100200"},"PeriodicalIF":13.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145895864","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}

{"title":"Enhanced H2O2 production performance via indirect two-electron reduction of HOF/BiVO4 (010) S-scheme photocatalyst","authors":"Ling Zhou ,&nbsp;Long Li ,&nbsp;Liwen Huang ,&nbsp;Yan Wu","doi":"10.1016/j.actphy.2025.100172","DOIUrl":"10.1016/j.actphy.2025.100172","url":null,"abstract":"<div><div>Solar-driven oxygen reduction for H₂O₂ production offers a green, efficient, and environmentally friendly alternative to the conventional industrial anthraquinone process and direct H₂/O₂ synthesis. In this study, through targeted crystal facet engineering, a hydrogen-bonded organic framework (HOF) was selectively anchored onto the (010) facet of BiVO₄, forming an S-scheme heterojunction where the HOF is the reducing side and oxygen reduction occurs to produce H₂O₂. This configuration significantly enhanced the H₂O₂ yield to 555 μmol g⁻¹ h⁻¹, representing a ∼37 % improvement compared to randomly contacted HOF/BiVO₄ systems. In situ Kelvin probe force microscopy (KPFM) revealed the formation of an intrinsic electric field between the (110) and (010) facets of pristine BiVO₄, with the (010) facet becoming electron-rich under illumination. Further investigation of the HOF/BiVO₄ (010) material, where HOF is directionally anchored to the (010) facet of BiVO₄, demonstrated the establishment of an additional built-in electric field between the two components. Thus, we propose a novel HOF/BiVO₄ (010) photocatalytic material featuring dual built-in electric fields in the heterojunctions, which significantly promote the dual directed charge transfer in the different facets of single crystal BiVO₄ and the interface of the S-scheme heterojunction. In situ XPS further confirmed the S-scheme heterojunction electron transfer mechanism. By introducing electron scavengers and hole trappers, we conclusively verified that the heterojunction-mediated photocatalytic process follows a two-electron ORR pathway. EPR spectroscopy detected the presence of superoxide radicals (∙O₂⁻), indicating that the ORR proceeds via an indirect two-electron transfer mechanism. The synergistic effects of the dual built-in electric fields, S-scheme heterojunction structure, and two-electron ORR pathway collectively contribute to the superior photocatalytic performance of this system.</div></div>","PeriodicalId":6964,"journal":{"name":"物理化学学报","volume":"42 3","pages":"Article 100172"},"PeriodicalIF":13.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145923326","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}

{"title":"Efficient photocatalytic NADH regeneration and enzymatic CO2 reduction over [Cp∗Rh(bpy)H2O]2+ self-assembled CdIn2S4 flower-like microspheres","authors":"Chunhui Gao ,&nbsp;Lurong Li ,&nbsp;Guanwei Peng ,&nbsp;Jinni Shen ,&nbsp;Wenxin Dai ,&nbsp;Zizhong Zhang","doi":"10.1016/j.actphy.2025.100165","DOIUrl":"10.1016/j.actphy.2025.100165","url":null,"abstract":"<div><div>Integrating photocatalytic cofactor regeneration with enzymatic cascades enables sustainable CO₂ valorization but faces challenges like limited hydrogen sources and homogeneous mediator and photogenerated holes-induced enzyme deactivation. This study demonstrates that the low oxidation potential of L-ascorbic acid (L-AA) can enhance proton supply and promote the formation of [Cp∗Rh(bpy)H]⁺ intermediates. Only 0.26 mg (≈0.12 mmol L⁻¹) [Cp∗Rh(bpy)Cl]Cl can achieve efficient/selective reduced nicotinamide adenine dinucleotide (NADH) regeneration, which is more than twice as effective as the typical sacrificial agent triethanolamine (TEOA). A novel strategy was developed <em>via</em> electrostatic self-assembly of [Cp∗Rh(bpy)H₂O]²⁺ onto CdIn₂S₄ microsphere photocatalysts. This innovative integration physically separated free mediators and photogenerated holes from enzymes, effectively suppressing enzyme deactivation through spatial compartmentalization. The optimal integrated photocatalytic system achieved 90 % NADH regeneration efficiency within 40 min of 420 nm light irradiation, outperforming previously reported systems. When coupled with formate dehydrogenase (FDH), the integrated system achieved formic acid generation rates of 443.5 μmol g⁻¹ h⁻¹ (one light−dark cycle) and 202.7 μmol g⁻¹ h⁻¹ (continuous light), representing 1.2- and 3.2-fold improvements over free mediator systems, respectively. This study provides an efficient and sustainable new strategy for light driven coenzyme regeneration and enzyme catalyzed CO₂ synthesis of high value-added chemicals.</div></div>","PeriodicalId":6964,"journal":{"name":"物理化学学报","volume":"42 3","pages":"Article 100165"},"PeriodicalIF":13.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145923327","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}

{"title":"Structural and electrochemical behaviour of bilayer manganite LaSr2Mn2O6.96 cathode for all-solid-state fluoride ion batteries","authors":"Vanita Vanita ,&nbsp;Roland Schoch ,&nbsp;Pascal Puphal ,&nbsp;Hasan Yilmaz ,&nbsp;Matthias Bauer ,&nbsp;Oliver Clemens","doi":"10.1016/j.actphy.2025.100181","DOIUrl":"10.1016/j.actphy.2025.100181","url":null,"abstract":"<div><div>In this study, we explore the potential of the RP-type bilayer manganite LaSr₂Mn₂O_6.96 as an intercalation-based cathode material for all-solid-state fluoride ion batteries (FIBs). Structural changes of LaSr₂Mn₂O_6.96 during fluoride intercalation and de-intercalation were analyzed <em>via</em> <em>ex-situ</em> X-ray diffraction, revealing that F⁻ insertion induces the formation of three distinct tetragonal phases. To understand the complex behavior of these phases, we examined the changes in the Mn oxidation state and coordination environment using X-ray absorption spectroscopy and magnetic measurements. Under stack pressure (20 kN), electrochemical cycling of LaSr₂Mn₂O_6.96 in the potential range of 1 V to −1 V exhibited a continuous increase in specific capacity from capacity of ∼30 mAh g⁻¹ to ∼ 68 mAh g⁻¹ over 200 cycles, with ∼99% coulombic efficiency and no signs of capacity fading. This makes the bilayer manganite LaSr₂Mn₂O_6.96 a promising candidate for a cycling stable cathode for all-solid-state FIBs, especially under the application of stack pressure.</div></div>","PeriodicalId":6964,"journal":{"name":"物理化学学报","volume":"42 3","pages":"Article 100181"},"PeriodicalIF":13.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145923329","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}

{"title":"π-Conjugation-extended dinaphthocarbazole phosphonic acid as a hole-selective layer for inverted perovskite solar cells","authors":"Shantao Zhang ,&nbsp;TianAo Hou ,&nbsp;Yandong Wang ,&nbsp;Zhimin Fang ,&nbsp;Yu Wu ,&nbsp;Haolin Wang ,&nbsp;Tao Chen ,&nbsp;Shuang Chen ,&nbsp;Wenhua Zhang ,&nbsp;Shengzhong Liu (Frank) ,&nbsp;Shangfeng Yang","doi":"10.1016/j.actphy.2025.100194","DOIUrl":"10.1016/j.actphy.2025.100194","url":null,"abstract":"<div><div>In the rapidly evolving field of photovoltaic technology, self-assembled monolayers (SAMs) have become essential hole-selective layers (HSLs) for inverted perovskite solar cells (PSCs). SAMs not only determine interfacial hole extraction but also significantly influence the film quality of the atop perovskite layers, consequently affecting the efficiency and stability of perovskite solar cells. Among various SAMs, carbazole-based SAMs, exemplified by 4PACZ, have emerged as prominent due to their electron-rich characteristics, making them some of the most prevalent HSLs in modern inverted PSCs. Nevertheless, 4PACZ exhibits significant limitations: one major issue is its limited molecular dipole, which leads to insufficient energy level alignment between the treated substrate and the perovskite, causing substantial interfacial energy loss. Another critical challenge is the flat structure of the carbazole unit, which often promotes molecular stacking, resulting in incomplete substrate coverage and non-uniform film formation, thereby compromising both device performance and stability. In this study, we designed a novel SAM based on a polycyclic aromatic hydrocarbon derivative, (4-(8H-dinaphtho[2,3-c:2′,3′-g]carbazol-8-yl)butyl)phosphonic acid (4PADNC), with the aim of optimizing hole transport in inverted PSCs. This SAM incorporates the structurally extended dinaphtho[2,3-c:2′,3′-g]carbazole (DNC) as the functional terminal group, replacing the single carbazole unit in the traditional material 4PACZ. The key structural difference is that the DNC group provides a significantly expanded π-conjugated skeleton and enhanced electron-rich characteristics. These features not only greatly enhance hole extraction and transport at the interface but also induce a significant increase in the molecular dipole moment, which is crucial for effectively adjusting the work function of ITO, ensuring proper alignment with the perovskite layer. Additionally, there is an intramolecular dihedral angle of approximately 34.62° in the DNC unit at the core of 4PADNC. This non-planar configuration contrasts sharply with the planar carbazole structure. The larger dihedral angle effectively suppresses excessive π-π stacking between molecules, which not only aids in forming a denser and more ordered molecular layer on the ITO surface but also provides a more favorable and defect-free substrate for the growth of the upper perovskite. With these upgrades, the inverted PSCs based on 4PADNC achieved a PCE as high as 24.32 %, compared to 22.89 % for the control devices based on 4PACZ. Furthermore, the 4PADNC-based devices also exhibited superior thermal stability and operational stability.</div></div>","PeriodicalId":6964,"journal":{"name":"物理化学学报","volume":"42 3","pages":"Article 100194"},"PeriodicalIF":13.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145923298","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}

{"title":"Red-emitting carbon dots prepared from Epipremnum Aureum leaves extract for biological imaging","authors":"Renyi Shao ,&nbsp;Khurram Abbas ,&nbsp;Vladimir Yu Osipov ,&nbsp;Haimei Zhu ,&nbsp;Yuan Li ,&nbsp;Usama ,&nbsp;Hong Bi","doi":"10.1016/j.actphy.2025.100134","DOIUrl":"10.1016/j.actphy.2025.100134","url":null,"abstract":"<div><div>Carbon dots (CDs) have been widely applied in fluorescence imaging both <em>in vitro</em> and <em>in vivo</em>. However, key challenges remain to be addressed, including the poor specificity of CDs as biological markers and their relatively low fluorescence quantum yield (QY) in the red emission region. In this study, we synthesized red fluorescent carbon dots (designated as EA-CDs, <em>λ</em>_ex/<em>λ</em>_em = 400 nm/660 nm) using a natural plant-derived precursor ethanol extract from <em>Epipremnum aureum</em> leaves <em>via</em> a one-pot solvothermal method. The EA-CDs exhibit a small particle size (average diameter: 3.9 nm), high fluorescence QY (15.4 % in ethanol at <em>λ</em>_em = 660 nm), low toxicity (both <em>in vitro</em> and <em>in vivo</em>), and favorable lipophilicity (oil-water partition coefficient Log<em>P</em> &gt; 0), making them suitable for biological fluorescence imaging and labeling applications. Experimental results indicate that these red-emitting CDs can not only effectively label plant cell membranes, but also serve as an intestinal fluorescence imaging probe in zebrafish models. This suggests their potential as a universal red-emissive bio-membrane dye with high QY. Furthermore, this work pioneers a novel application approach for ornamental plants like <em>Epipremnum aureum</em>.</div></div>","PeriodicalId":6964,"journal":{"name":"物理化学学报","volume":"42 2","pages":"Article 100134"},"PeriodicalIF":13.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145360973","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}

{"title":"Regulating the formation type by Ir of intermediates to suppress product overoxidation in photocatalytic methane conversion","authors":"Yuhang Zhang ,&nbsp;Yi Li ,&nbsp;Yuehan Cao ,&nbsp;Yingjie Shuai ,&nbsp;Yu Zhou ,&nbsp;Ying Zhou","doi":"10.1016/j.actphy.2025.100173","DOIUrl":"10.1016/j.actphy.2025.100173","url":null,"abstract":"<div><div>Methane, as an abundant resource, serves not only as an excellent fossil fuel but also as a pivotal feedstock for synthesizing high-value-added chemical products. Solar-driven methane conversion offers a highly promising pathway for the direct production of high-value chemicals such as methanol (CH₃OH) and formaldehyde (HCHO) under mild conditions. However, the core challenge of this conversion process lies in the tendency of target products to undergo over-oxidation, resulting in low selectivity—a critical bottleneck that urgently requires breakthrough in this field. Herein, we constructed an Ir-modified CdS (Ir_<em>x</em>/CdS) photocatalytic system and proposed that regulating the generation types of key reaction intermediates via metallic Ir is an effective strategy to enhance the selectivity of target products and suppress over-oxidation. <em>In situ</em> diffuse reflectance infrared Fourier transform spectroscopy (<em>in situ</em> DRIFTS) confirmed that the types of key intermediates generated during methane activation differ, which decisively influences the product distribution. On pure CdS surfaces, the key intermediate ∗CH₃O tends to participate in subsequent deep oxidation reactions via its O atom, ultimately leading to over-oxidized products like CO₂. In contrast, after Ir loading, the key reaction intermediate shifts to ∗CH₃. The Ir sites facilitate the conversion of ∗CH₃ to ‧CH₃ radicals through localized electron transfer, and the generated ‧CH₃ radicals rapidly combine with ‧OH radicals to selectively form CH₃OH. The performance evaluation of photocatalytic methane conversion demonstrated that under conditions of 60 °C, 0.1 MPa, and molecular oxygen as the oxidant, the 0.50 wt% Ir-loaded Ir_0.50/CdS sample exhibited optimal performance: the yield of oxygenated liquid products (CH₃OH and HCHO) reached 509.2 μmol g⁻¹ h⁻¹, with overall selectivity enhanced to 88 %. Characterization techniques such as X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM) revealed the coexistence of two valence states of Ir on the catalyst surface (metallic Ir⁰ and oxidized Ir⁴⁺), with the metallic state being dominant. The strategy proposed in this work—regulating intermediate species generation via metal modification to inhibit over-oxidation—provides a novel approach for the efficient conversion of methane into high-value oxygenated chemicals.</div></div>","PeriodicalId":6964,"journal":{"name":"物理化学学报","volume":"42 2","pages":"Article 100173"},"PeriodicalIF":13.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145463975","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}

{"title":"Recent advances in carbon dots as a single photocatalyst","authors":"Yu Liu,&nbsp;Pengfei Li,&nbsp;Yize Liu,&nbsp;Zaicheng Sun","doi":"10.1016/j.actphy.2025.100167","DOIUrl":"10.1016/j.actphy.2025.100167","url":null,"abstract":"<div><div>Carbon dots (CDs), as a class of highly promising multifunctional carbon nanomaterials, have emerged as a hot research topic in photocatalysis due to their strong visible-light absorption, favorable optical properties, and tunable bandgap structures. In recent years, extensive efforts have been devoted to enhancing the catalytic performance by combining CDs with other catalysts to form complexes. Beyond that, CDs also present a decent catalytic performance in various fields. However, summaries focusing on photocatalytic performance and mechanisms of CDs as a single-component photocatalyst remain scarce. A thorough understanding of structural characteristics and modulation strategies of the CDs is crucial for further advancing their photocatalytic applications. This review systematically summarizes the intrinsic structural features of CDs, performance enhancement strategies, including elemental doping and surface functionalization, and their applications as single-component catalysts in diverse photocatalytic reactions.</div></div>","PeriodicalId":6964,"journal":{"name":"物理化学学报","volume":"42 2","pages":"Article 100167"},"PeriodicalIF":13.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145414894","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}

{"title":"Unlocking the performance of sodium-ion batteries by coating Na3V2(PO4)3 with Nb2O5","authors":"Débora Ferreira dos Santos Morais ,&nbsp;José Luis Tirado ,&nbsp;Carlos Pérez-Vicente ,&nbsp;Fabiana Villela da Motta ,&nbsp;Pedro Lavela ,&nbsp;Mauricio Bomio ,&nbsp;Sergio Lavela","doi":"10.1016/j.actphy.2025.100180","DOIUrl":"10.1016/j.actphy.2025.100180","url":null,"abstract":"<div><div>Na₃V₂(PO₄)₃ (NVP) is a promising cathode material for sodium-ion batteries owing to its NASICON-type framework, which enables efficient reversible sodium insertion. However, its practical performance is limited by slow charge transfer at high cycling rates and cycling instability. Here, we report a facile impregnation method to deposit Nb₂O₅ on NVP particles, aiming to enhance high-rate capability and long-term cycling stability. Structural and spectroscopic analyses (XRD, electron microscopy, Raman, XPS, and X-ray fluorescence spectroscopy) confirm the crystallinity of NVP and the uniform presence of Nb₂O₅ on particle surfaces without compromising sodium reversibility. Electrochemical measurements reveal that Nb₂O₅-coated samples show the highest diffusion coefficients, ensuring superior high-rate performance and cycling stability. The 3 % Nb₂O₅ coating delivers the highest diffusion coefficients, superior cycling stability, and sustained capacity retention at a 1C rate. Cyclic voltammetry and impedance spectroscopy indicate enhanced surface capacitance, facilitating rapid sodium storage. XPS shows the conversion of Nb₂O₅ into NbF₅, resulting from HF scavenging, which improved interfacial stability. Extended cycling tests validate the long-term durability of the coated electrode. These results demonstrate that Nb₂O₅ surface modification is an effective strategy to overcome the intrinsic limitations of NVP, offering a viable route to high-performance sodium-ion batteries.</div></div>","PeriodicalId":6964,"journal":{"name":"物理化学学报","volume":"42 2","pages":"Article 100180"},"PeriodicalIF":13.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145463976","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}

{"title":"Construction of NH2-MIL-125/Na-doped g-C3N4 composite S-scheme heterojunction and its performance in photocatalytic hydrogen peroxide production","authors":"Fan Fan,&nbsp;Hao Xiu,&nbsp;Yuting Wang,&nbsp;Yongpeng Cui,&nbsp;Yajun Wang","doi":"10.1016/j.actphy.2025.100143","DOIUrl":"10.1016/j.actphy.2025.100143","url":null,"abstract":"<div><div>Heterogeneous structure building has proven to be an effective strategy for achieving efficient charge separation and improving photocatalytic performance. In this study, based on the synergistic optimization strategy of elemental doping and heterostructure construction, an S-scheme heterojunction photocatalyst (<em>x</em>% NMT/Na-CN) composed of titanium-based metal-organic framework (NH₂-MIL-125, abbreviated as NMT) and sodium-doped carbon nitride (Na-CN) was constructed by a simple impregnation method. The energy band structure of the catalysts was modulated by intra-layer doping of Na, which introduced nitrogen defects and improved the separation efficiency of photogenerated charges. In addition, the composite of Na-CN and NMT formed an S-scheme heterojunction, which further improved the photogenerated charge separation efficiency while retaining the strong redox ability of the composite catalyst. Owing to the synergistic effect of Na doping and NMT composite, the photocatalytic H₂O₂ production rate of 15 % NMT/Na-CN in isopropanol solution was as high as 2474.6 μmol g⁻¹ h⁻¹, which was 38 times higher than that of unmodified bulk carbon nitride. This work offers a novel approach to realize the efficient production of H₂O₂ from carbon nitride-based photocatalysts based on the doping-heterojunction synergistic optimization strategy.</div></div>","PeriodicalId":6964,"journal":{"name":"物理化学学报","volume":"42 2","pages":"Article 100143"},"PeriodicalIF":13.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145360972","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}