Inorganic Chemistry Communications最新文献_第8页

A new organotin–copper(I) cyanide supramolecular coordination polymer incorporating dipyridylamine: Crystal structure and anticancer activity evaluation 含二吡啶胺的新型有机锡-铜氰化超分子配位聚合物：晶体结构及抗癌活性评价

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2026-01-28 DOI: 10.1016/j.inoche.2026.116249

Mohamed M. El-bendary , Ehab M.M. Ali , Bambar Davaasuren , Mariusz Jaremko

The self-assembly of Me₃SnCl and 2,2′-dipyridylamine (dpa) with K₃[Cu(CN)₄] at room temperature afforded a new organotin bimetallic supramolecular coordination polymer, [Me₃SnCu₂(CN)₃(dpa)₂], (SCP 1), which crystallizes as orange platelets from an aqueous acetonitrile solution. Elemental analysis, IR spectroscopy, electronic absorption, and ¹H and ¹³C NMR spectroscopy were used to describe SCP 1 comprehensively. The SCP 1's crystal structure was clearly confirmed using single-crystal X-ray diffraction. The anionic [Cu₂(CN)₃]⁻ units in SCP 1 are bridged by the Me₃Sn⁺ cations to generate one-dimensional zigzag chains. Each Cu(I) center is coordinated by two cyanide ligands and two nitrogen atoms from a dpa ligand, adopting a distorted tetrahedral geometry in SCP 1. The tin atom is bonded to three methyl groups and two cyanide ligands, forming a trigonal bipyramidal coordination environment. The 1D zigzag chains are further interconnected through strong hydrogen-bonding interactions to form two-dimensional layers. Additional π–π stacking interactions between the pyridine rings of the dpa ligands reinforce the packing and lead to a 3D supramolecular network. The luminescence properties of SCP 1 and the free dpk ligand were examined and compared. The present study discusses the investigation of the cytotoxicity of a bimetallic organotin copper cyanide, SCP 1, on liver, colon, and breast cancer cell lines. SCP 1 showed significant cytotoxicity, with reduced IC₅₀ values and elevated selectivity indices (SI) against HCT116 and MDA-MB-231 compared with HepG2. Treatment of HCT116 cells with the SCP 1 at half the IC₅₀ concentration triggered apoptosis, resulting in 21.3% early and 24.9% late apoptotic populations, and promoted cell cycle arrest at the G2/M phase, thereby reducing proliferation and facilitating programmed cell death. These findings emphasize the significant anti-proliferative potential of the SCP 1 and support its future assessment as a possible chemotherapeutic approach.

Me₃SnCl和2,2′-二吡啶胺（dpa）与K₃[Cu（CN）₄]在室温下自组装，产生了一种新的有机锡双金属超分子配位聚合物[Me₃SnCu₂（CN）₃（dpa）₂](SCP 1)，该聚合物在乙腈水溶液中结晶为橙色片状物。元素分析、红外光谱、电子吸收、1H和13C核磁共振光谱对SCP 1进行了全面的描述。SCP 1的晶体结构被单晶x射线衍射清楚地证实。SCP 1中的阴离子[Cu₂（CN）₃]−单元被Me₃Sn+阳离子桥接，形成一维之字形链。每个Cu(I)中心由两个氰化物配体和来自dpa配体的两个氮原子配位，在SCP 1中采用畸变四面体几何结构。锡原子与三个甲基和两个氰化物配体结合，形成一个三角双锥体配位环境。一维之字形链通过强氢键相互作用进一步相互连接，形成二维层。dpa配体的吡啶环之间额外的π -π堆叠相互作用加强了填料并导致三维超分子网络。比较了SCP - 1和游离dpk配体的发光特性。本研究探讨了一种双金属有机锡氰铜（SCP 1）对肝癌、结肠癌和乳腺癌细胞系的细胞毒性。SCP 1表现出显著的细胞毒性，与HepG2相比，IC₅0值降低，对HCT116和MDA-MB-231的选择性指数（SI）提高。用一半IC₅0浓度的SCP 1处理HCT116细胞触发凋亡，导致21.3%的早期和24.9%的晚期凋亡群体，并促进G2/M期细胞周期阻滞，从而减少增殖并促进程序性细胞死亡。这些发现强调了SCP - 1的显著抗增殖潜力，并支持其作为一种可能的化疗方法的未来评估。

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引用次数: 0

Engineering quantum dot-based nanozymes for advanced biomedical applications 用于先进生物医学应用的工程量子点纳米酶

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2026-01-28 DOI: 10.1016/j.inoche.2026.116234

Masoomeh Amoozadeh , Elham Momtaz , Atefeh Zarepour , Arezoo Khosravi , Siavash Iravani , Ali Zarrabi

Quantum dot-based nanozymes (QDNs) represent a cutting-edge convergence of quantum dot technology and enzyme-mimicking nanomaterials, offering outstanding prospects in biomedical fields including bioimaging, biosensing, targeted drug delivery, and photodynamic therapy. Recent advances have leveraged precise surface modification techniques, heteroatom doping, and innovative core–shell architectures to amplify catalytic efficiency, biocompatibility, and specificity, thereby enhancing therapeutic and diagnostic precision. These multifunctional QDNs exhibit superior catalytic performance, stability across physiological conditions, and tunable optical properties, positioning them at the forefront of nanozyme research for combating complex biomedical challenges such as antimicrobial resistance and tumor targeting. Nonetheless, pivotal challenges persist, including inherent toxicity concerns, bioaccumulation, immunogenicity, and gaps in standardization that hinder clinical translation. Addressing these issues involves developing biodegradable and non-toxic quantum dots, optimizing surface passivation, and establishing robust preclinical evaluation protocols. Future directions emphasize integrating multifunctional therapeutic modalities within single QDN platforms, advancing scalable and reproducible manufacturing methodologies, and fostering regulatory frameworks to accelerate clinical adoption. This review underscores both the transformative potential and the critical barriers facing QDNs, guiding their evolution into clinically impactful biomedical tools.

基于量子点的纳米酶（qdn）代表了量子点技术和酶模拟纳米材料的前沿融合，在生物成像、生物传感、靶向给药和光动力治疗等生物医学领域具有突出的前景。最近的进展是利用精确的表面修饰技术、杂原子掺杂和创新的核壳结构来提高催化效率、生物相容性和特异性，从而提高治疗和诊断的准确性。这些多功能qdn具有优异的催化性能，在生理条件下的稳定性和可调的光学特性，将它们定位在纳米酶研究的前沿，用于应对复杂的生物医学挑战，如抗菌素耐药性和肿瘤靶向。尽管如此，关键的挑战仍然存在，包括固有的毒性问题，生物积累，免疫原性，以及阻碍临床翻译的标准化差距。解决这些问题包括开发可生物降解和无毒的量子点，优化表面钝化，建立健全的临床前评估方案。未来的方向强调在单一QDN平台内整合多功能治疗模式，推进可扩展和可重复的制造方法，并促进监管框架以加速临床应用。这篇综述强调了qdn的变革潜力和面临的关键障碍，指导它们向临床有效的生物医学工具发展。

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引用次数: 0

Anchoring NiCo alloys onto N-doped carbon spheres for enhanced electrocatalytic hydrogen evolution reaction 氮掺杂碳球锚定NiCo合金增强电催化析氢反应

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2026-01-28 DOI: 10.1016/j.inoche.2026.116250

Fan Wang , Yu Zhang , Hu Zhou , Chunfeng Meng , Yanxin Qiao , Biao Hu

Ni-ZIF-67 nanocrystals are hydrothermally grown on polydopamine (PDA) spheres, followed by pyrolysis to yield N-doped carbon sphere-supported NiCo alloy nanoparticles (NiCo@NCS). Systematic characterizations demonstrate that Ni doping is crucial for promoting the electrocatalytic activity toward hydrogen evolution reaction (HER). The NiCo@NCS catalyst exhibits high HER performance, achieving a low overpotential of 276 mV at 10 mA cm⁻², a favorable Tafel slope of 110 mV dec⁻¹, and exceptional stability. This performance enhancement originates from the synergistic coupling of homogeneously dispersed NiCo alloy nanoparticles, accelerated charge transfer kinetics, and ‌hierarchical pore structure.

Ni-ZIF-67纳米晶体在聚多巴胺（PDA）球上水热生长，然后热解得到n掺杂碳球负载的NiCo合金纳米颗粒（NiCo@NCS）。系统表征表明，Ni掺杂对提高析氢反应（HER）的电催化活性至关重要。NiCo@NCS催化剂具有优异的HER性能，在10 mA cm−2下的过电位为276 mV，良好的Tafel斜率为110 mV dec−1，并且具有优异的稳定性。这种性能的增强源于均匀分散的NiCo合金纳米颗粒的协同耦合、加速的电荷转移动力学和分层孔隙结构。

引用次数: 0

Effect of geometric alteration on mononuclear Cu(II) dibromo complexes towards catecholase and phenoxazinone synthase biomimicking activities 几何变化对单核Cu（II）二溴配合物对儿茶酚酶和苯恶嗪酮合成酶仿生活性的影响

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2026-01-28 DOI: 10.1016/j.inoche.2026.116236

Indrajit Roy, Bipin Paswan, Saikat Barat, Somnath Maji

Phenoxazinone synthase and catechol oxidase are two particularly important metalloenzymes for their unique catalytic properties. In this regard, we have synthesized two structurally distinct mononuclear Cu(II) complexes [Cu(L1)Br₂]; 1 and [Cu(L2)Br]Br; 2 respectively (where, L1 = N1,N2-bis((1H-benzo[d]imidazol-2-yl)methyl)-N1,N2-dimethylethane-1,2-diamine, and L2 = N1,N2-dimethyl-N1,N2-bis((1-methyl-1H-benzo[d]imidazol-2-yl)methyl)ethane-1,2-diamine). The single crystal X-ray diffraction (SCXRD) analysis, which suggested distorted octahedral and square pyramidal geometry around the central metal unit for 1 and 2, respectively. Catalytic behaviour of both 1 and 2 towards catalytic transformation of o-aminophenol (OAP) to phenoxazinone (APX) and 3,5-ditertbutylcatechol (3,5-DTBC) to 3,5-ditertbutylquinone (3,5-DTBQ) was studied using absorption spectral analysis, and the crucial kinetic parameters were determined. Complex 2 shows higher catalytic activity (K_cat = 201 h⁻¹ for 3,5-DTBC and 487.2 h⁻¹ for OAP) than complex 1 (123.36 h⁻¹ and 272.28 h⁻¹), highlighting the influence of coordination geometry on catalysis. Mass spectrometric studies identified various metal–substrate adducts, providing mechanistic insights into both catalytic transformations. Overall, these findings highlight the pivotal structure–function relationship governing catalytic activity, guiding the rational design of next-generation biomimetic catalysts.

苯恶嗪酮合成酶和儿茶酚氧化酶是两种特别重要的金属酶，它们具有独特的催化性能。在这方面，我们合成了两个结构不同的单核Cu（II）配合物[Cu(L1)Br2]；1和[Cu(L2)Br]Br；其中，L1 = N1,N2-bis（（1h -苯并[d]咪唑-2-基）甲基）-N1， n2 -二甲基乙烷-1,2-二胺，L2 = N1， n2 -二甲基-N1，N2-bis（（1-甲基- 1h -苯并[d]咪唑-2-基）甲基）乙烷-1,2-二胺)。单晶x射线衍射（SCXRD）分析表明，1和2的中心金属单元周围分别为扭曲的八面体和方锥体几何形状。利用吸收光谱分析研究了1和2对邻氨基酚（OAP）转化为苯恶嗪酮（APX）和3,5-二叔丁基儿茶酚（3,5- dtbc）转化为3,5-二叔丁基醌（3,5- dtbq）的催化行为，并确定了关键动力学参数。配合物2的催化活性（3,5- dtbc的Kcat = 201 h−1，OAP的Kcat = 487.2 h−1）高于配合物1 (123.36 h−1和272.28 h−1)，突出了配位几何对催化的影响。质谱研究确定了各种金属-底物加合物，为这两种催化转化提供了机理见解。总的来说，这些发现突出了控制催化活性的关键结构-功能关系，指导了下一代仿生催化剂的合理设计。

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引用次数: 0

Enhancing the performance of photoelectrochemical water splitting using zinc oxide nanorod through UV-Ozone treatment uv -臭氧处理提高氧化锌纳米棒的光电化学水分解性能

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2026-01-27 DOI: 10.1016/j.inoche.2026.116247

Liszulfah Roza , Vivi Fauzia , Razin Sabil Asy'tada , Murni Handayani , Osi Arutanti , Rahmat S. Mohar , M.Y.A. Rahman

This study investigates the effect of UV/Ozone (UVO) treatment on the photoelectrochemical water splitting (PECWS) using ZnO nanorods (NRs) as photocatalyst. ZnO NRs are recognized as an efficient semiconductor material for PECWS due to their outstanding properties and low cost. The UVO treatment was applied with irradiation times varying from 0 to 15 min to enhance the morphological and optical properties of ZnO NRs. The application of UVO treatment is found to significantly enhance the performance of the PECWS by increasing the density of oxygen vacancies (VO), which improves light-induced electron generation and separation. The variation of the UVO irradiation time led to the decrease in the NRs size, and improved optical properties, such as enhanced absorbance and photoluminescence (PL) emission, leading to significantly improved PEC activity. Among the treated samples, the UVO-10 treatment exhibited significant improvement in the PEC performance with the highest photocurrent density (J_ph) of 0.239 mAcm⁻² at 1.23 V vs. RHE under AM 1.5G illumination. This sample also yielded the highest applied bias photon-to-electron efficiency (ABPE) with the value of 0.059% at a bias voltage of 0.857 V vs. RHE. However, extended UVO treatment time led to the formation of oxygen interstitials (Oi) by accelerating photocatalytic degradation. The findings highlight the critical balance needed in UVO treatment duration to achieve optimal performance while avoiding detrimental defects. This study provides valuable insights for refining treatment protocols and advancing the development of efficient ZnO-based PECWS.

研究了紫外/臭氧（UVO）处理对ZnO纳米棒（NRs）光催化下的光电化学水分解（PECWS）的影响。由于其优异的性能和低廉的成本，ZnO nmr被认为是一种高效的PECWS半导体材料。UVO处理的辐照时间为0 ~ 15 min，可以增强ZnO纳米粒子的形貌和光学性能。应用UVO处理可以通过增加氧空位（VO）的密度来显著提高PECWS的性能，从而改善光诱导电子的产生和分离。UVO照射时间的变化导致NRs尺寸的减小，光学性能的改善，如吸光度和光致发光（PL）发射增强，导致PEC活性显著提高。在处理过的样品中，UVO-10处理在AM 1.5G照明下，与RHE相比，在1.23 V下的最高光电流密度（Jph）为0.239 mAcm−2，显著改善了PEC性能。与RHE相比，该样品在0.857 V的偏置电压下产生了最高的应用偏压光子电子效率（ABPE），值为0.059%。然而，延长UVO处理时间会通过加速光催化降解导致氧间隙（Oi）的形成。研究结果强调了UVO治疗时间的关键平衡，以达到最佳性能，同时避免有害缺陷。该研究为完善处理方案和推进高效zno基PECWS的发展提供了有价值的见解。

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引用次数: 0

Precursor structure as ingredient controller in CdS/nitrogen-doped carbon composite syntheses and their effect on the catalytic degradation of RhB 前驱体结构作为CdS/氮掺杂碳复合材料合成中的成分控制及其对RhB催化降解的影响

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2026-01-27 DOI: 10.1016/j.inoche.2026.116239

Bo Zhao , Senlin Li , Haitao Liu , Xingyang Zhong , Qiaozhen Sun , Bingguang Zhang

The constitutes and performances of sinters are affected by many factors when using coordination polymers as precursors in photocatalytic degradation. However, the structural impact of coordination polymer is not involved. Herein, the cadmium compound, [Cd (sip)(dpa)(H₂O)]_n (Cd-SD), is carefully selected as a precursor because it contains the same elements as that of [Cd(Hsip)(HL₁)(H₂O)₂·2(H₂O)]_n (Cd-CP), which we previously reported but displays different structure and elemental contents. Through in-situ carbonization, CdS/nitrogen doped carbon (CdS/NC-T) composite instead of CdS-CdO/NC-T was generated, and a lot of CdS nanostrips emerged at 600 °C. PXRD and TEM confirmed the formation of hexagonal wurzite CdS nanoparticles on nitrogen-doped carbonaceous scaffolds. The degradation efficiency of Rhodamine B (RhB) by the CdS/NC-600 composites under visible irradiation reached ca. 90% within 2 h. The trapping experiment manifested that the photogenerated h⁺ and ·OH were crucial factors in RhB removal. The results implied that the elemental content of the precursor was a crucial factor to determine the photocatalytic performance of CdS/NC-T.

以配位聚合物为前驱物进行光催化降解时，烧结矿的组成和性能受多种因素的影响。但不考虑配位聚合物的结构影响。本文精心选择镉化合物[Cd(sip)(dpa)(H2O)]n （Cd- sd）作为前驱体，因为它含有与我们之前报道的[Cd(Hsip)(HL1)(H2O)2·2(H2O)]n （Cd- cp）相同的元素，但具有不同的结构和元素含量。通过原位碳化制备了CdS/氮掺杂碳（CdS/NC-T）复合材料，取代了CdS- cdo /NC-T，并在600℃下出现了大量CdS纳米带。PXRD和TEM证实了六方纤锌矿CdS纳米颗粒在氮掺杂碳质支架上的形成。cd /NC-600复合材料在可见光照射下对罗丹明B （Rhodamine B, RhB）的降解率在2 h内达到90%左右。捕集实验表明，光生成的h+和·OH是RhB去除的关键因素。结果表明，前驱体的元素含量是决定CdS/NC-T光催化性能的关键因素。

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引用次数: 0

Non-stoichiometric three dimensional (Ni,Cd)S hybrid electrodes for high performance supercapacitor application 用于高性能超级电容器的非化学计量三维（Ni,Cd）S混合电极

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2026-01-27 DOI: 10.1016/j.inoche.2026.116244

Uroosa Riaz , Gul Rahman , Sang Youn Chae , Anwar ul Haq Ali Shah

Bimetallic sulfide nanostructures have recently been explored as supercapacitor electrodes owing to their high electrical conductivity and pseudocapacitive characteristics. This work focuses on the preparation of bimetallic nickel cadmium sulfide (Ni,Cd)S with different Ni/Cd ratios using the hydrothermal method for supercapacitor application. The X-ray diffraction spectra indicated both nickel and cadmium sulfide phases at higher cadmium content. The surface morphology of the (Ni,Cd)S assumed distorted spherical shape, well-differentiated from the NiS₂ and CdS. The charge storage capability of the NiS₂, CdS, and (Ni,Cd)S with Ni/Cd ratios of 1:1, 1:2, and 1:5 was evaluated with electrochemical testing. From the CV curves, the specific capacitance of NiS₂, CdS, (Ni,Cd)S-(1:1), (Ni,Cd)S-(1:2), (Ni,Cd)S-(1:5) at a scan rate of 10 mV∙s⁻¹ were calculated as 491.76, 325.92, 589.18, 696.79, and 580.56 F∙g⁻¹, respectively. The (Ni,Cd)S-(1:2) electrode exhibited superior performance to others, which was further confirmed from GCD profiles with the highest specific capacity (48.26 mAh∙g⁻¹), energy density (17.01 Wh∙kg⁻¹), and power density (1762 W∙kg⁻¹). To assess the real-world application, the best performing sample (Ni,Cd)S-(1:2) was assembled into a two-electrode symmetric supercapacitor device, which delivered appreciable energy and power densities (0.856 Wh∙kg⁻¹;441.6 W∙kg⁻¹). This high charge storage performance is due to the facilitated charge accommodation and transport of the highly active surface of the (Ni,Cd)S-(1:2) electrode, indicating its potential for next-generation power devices.

由于双金属硫化物纳米结构具有高导电性和伪电容特性，近年来被研究用于超级电容器电极。研究了水热法制备不同Ni/Cd比的双金属硫化镍镉（Ni,Cd）S，并将其应用于超级电容器。x射线衍射谱显示，镉含量较高时镍相和硫化镉相均存在。（Ni,Cd）S的表面形貌呈现扭曲的球形，与NiS2和CdS有明显的区别。通过电化学测试评价Ni/Cd比分别为1:1、1:2和1:5时NiS2、CdS和（Ni,Cd）S的电荷存储能力。从CV曲线可以计算出NiS2、CdS、（Ni,Cd）S-(1:1)、（Ni,Cd）S-(1:2)、（Ni,Cd）S-(1:5)在扫描速率为10 mV∙S−1时的比电容分别为491.76、325.92、589.18、696.79和580.56 F∙g−1。（Ni,Cd）S-(1:2)电极性能优于其他电极，GCD曲线进一步证实了这一点，其比容量最高（48.26 mAh∙g−1），能量密度最高（17.01 Wh∙kg−1），功率密度最高（1762 W∙kg−1）。为了评估实际应用，将性能最佳的样品（Ni,Cd）S-(1:2)组装成双电极对称超级电容器器件，其提供可观的能量和功率密度（0.856 Wh∙kg - 1;441.6 W∙kg - 1）。这种高电荷存储性能是由于（Ni,Cd）S-(1:2)电极的高活性表面易于电荷调节和传输，表明其在下一代功率器件中的潜力。

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引用次数: 0

Enhanced capture of Pb2+ by phosphoric acid-activated coffee ground biochar coupling with secondary pyrolysis: A multi-pathway mechanism 磷酸活化咖啡渣生物炭与二次热解耦合增强Pb2+的捕获：一个多途径机制

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2026-01-27 DOI: 10.1016/j.inoche.2026.116241

Xiankang Liu , Jun Yang , Qin Peng , Zhigang Xie , Yuhan Wang , Xingji Chen , Taiping Xie , Quanzhou Chen , Meiying Huang

With the growing popularity of coffee culture, discard coffee grounds, as a renewable resource, can be converted into biochar through pyrolysis and used to remediate heavy metal-contaminated wastewater. However, original biochar adsorbents mainly remove lead (Pb²⁺) through physical processes, resulting in low adsorption capacity, poor selectivity, and potential secondary lead leaching. We designed a functional coffee grounds biochar (PBCx) via pyrolysis-H₃PO₄ activation-secondary pyrolysis coupling technology. The optimal PBC3 absorbent possesses abundant microporous structure and a high specific surface area (102 m²/g), exhibiting an adsorption capacity of 166 mg/g for Pb²⁺, significantly higher than unactivated biochar (BC) under the same conditions. Mechanism studies confirmed that the superior adsorption performance stems from functional group anchoring of PBC3, resulting in highly stable phosphate and carbonate mineral phases, and the lone pair electron coordination of PO and CO groups. This research provides a high-value and environmentally friendly pathway for the resource utilization of waste coffee grounds, while also offering a novel strategy for the industrial application of heavy metal adsorption.

随着咖啡文化的日益普及，废弃的咖啡渣作为一种可再生资源，可以通过热解转化为生物炭，用于修复重金属污染的废水。而原有的生物炭吸附剂主要通过物理过程去除铅（Pb2+），吸附量低，选择性差，有可能导致铅的二次浸出。通过热解- h₃PO₄活化-二次热解耦合技术，设计了功能性咖啡渣生物炭（PBCx）。最佳的pb3吸附剂具有丰富的微孔结构和较高的比表面积（102 m2/g），对Pb2+的吸附量为166 mg/g，显著高于同等条件下未活化的生物炭（BC）。机理研究证实，优异的吸附性能源于PBC3的官能团锚定，形成了高度稳定的磷酸盐和碳酸盐矿物相，以及PO和CO基团的孤对电子配位。本研究为废咖啡渣资源化利用提供了一条高价值、环保的途径，同时也为重金属吸附的工业应用提供了新的策略。

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引用次数: 0

Synergistic design of NiCr₂O₄/Sm₂O₃ hybrid counter electrode for efficient Pt-free dye-sensitized solar cells 高效无pt染料敏化太阳能电池NiCr₂O₄/Sm₂O₃杂化对电极的协同设计

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2026-01-27 DOI: 10.1016/j.inoche.2026.116242

Murugesan Palaniappan , Veeranan Arunprasad , Thulasimani Murugesan

The growing demand for sustainable and cost-effective photovoltaic technologies has accelerated the search for efficient Pt-free counter electrodes (CEs) in dye-sensitized solar cells (DSSCs). In this work, a NiCr₂O₄/Sm₂O₃ composite was strategically designed and fabricated to overcome the intrinsic conductivity and catalytic limitations of individual oxide-based CEs. The composite was synthesized through an ultrasonic-assisted hydrothermal route, yielding a mesoporous heterostructure with a high specific surface area (71.9 m² g⁻¹) and enlarged pore diameter (21.5 nm), as confirmed by BET and BJH analyses. Structural studies (XRD and Raman) verified the coexistence of spinel NiCr₂O₄ and bixbyite Sm₂O₃ phases. XPS revealed mixed Ni²⁺/Ni³⁺ and Cr³⁺ surface redox states along with oxygen-vacancy-rich SmO environments conducive to catalytic charge transfer. Electrochemical measurements demonstrated that the composite CE exhibits higher peak redox currents, lower charge-transfer resistance (R_ct ≈ 17.8 Ω cm²), and higher exchange current density (J₀ = 0.73 mA cm⁻²) compared to pristine NiCr₂O₄ and Sm₂O₃. When employed in DSSCs, the NiCr₂O₄/Sm₂O₃ CE delivered an impressive power conversion efficiency (PCE) of 7.9%, closely approaching that of the standard Pt CE (8.2%) and outperforming pristine NiCr₂O₄ (6.3%) and Sm₂O₃ (4.6%). The device further exhibited excellent storage stability, retaining 95% of its initial efficiency after 15 days, and showed narrow performance variation among five independently fabricated cells (σ ≈ 0.12%), confirming reproducibility. These results establish NiCr₂O₄/Sm₂O₃ as a robust, scalable, and highly active Pt-free counter electrode material, offering a promising pathway toward low-cost and efficient next-generation DSSCs.

对可持续和具有成本效益的光伏技术的需求不断增长，加速了对染料敏化太阳能电池（DSSCs）中高效的无pt对电极（CEs）的研究。在这项工作中，NiCr2O4/Sm2O3复合材料被战略性地设计和制造，以克服单个氧化物基ce的固有导电性和催化局限性。通过超声辅助水热合成该复合材料，得到了具有高比表面积（71.9 m2 g−1）和扩大孔径（21.5 nm）的介孔异质结构，并得到了BET和BJH分析的证实。结构研究（XRD和Raman）证实了尖晶石NiCr2O4和bixbyite Sm2O3相共存。XPS显示混合Ni2+/Ni3+和Cr3+表面氧化还原态以及有利于催化电荷转移的富氧SmO环境。电化学测量表明，与原始NiCr2O4和Sm2O3相比，复合CE具有更高的峰值氧化还原电流，更低的电荷转移电阻（Rct≈17.8 Ω cm2）和更高的交换电流密度（J 0 = 0.73 mA cm−2）。当用于DSSCs时，NiCr2O4/Sm2O3 CE提供了令人印象深刻的功率转换效率（PCE）为7.9%，接近标准Pt CE(8.2%)，优于原始NiCr2O4（6.3%）和Sm2O3（4.6%）。该器件还表现出优异的存储稳定性，在15天后保持95%的初始效率，并且在5个独立制造的电池中表现出很小的性能变化（σ≈0.12%），证实了可重复性。这些结果表明NiCr2O4/Sm2O3是一种坚固、可扩展、高活性的无pt对电极材料，为低成本、高效的下一代DSSCs提供了一条有希望的途径。

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引用次数: 0

Structural, optoelectronic, and photoluminescence study in Ni-doped SnO2 nanomaterials: experimental and theoretical correlation 镍掺杂SnO2纳米材料的结构、光电和光致发光研究：实验和理论的相关性

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2026-01-27 DOI: 10.1016/j.inoche.2026.116246

O. AitMellal , M.Y. Messous , S. Dahri , S. Ait Bouzid , Y. Chrafih , M. Ait Oufakir , M. Manoua , A. Jabar

This work reports the synthesis and characterization of Ni-doped SnO₂ nanomaterials (0–5% Ni) investigated by combining experimental techniques with DFT calculations. Rietveld refined X-ray diffraction (XRD) identified the rutile tetragonal structure for all samples, with a reduction in crystallite size from ∼33 to 17 nm and small increase in cell volume upon Ni incorporation. Fourier transform infrared (FTIR) spectra indicated preservation of the main Sn-O vibrational modes with minimal shifts. Transmission electron microscopy (TEM) images showed quasi-spherical nanoparticles with a systematic size reduction upon doping. Energy-dispersive X-ray (EDX) and X-ray fluorescence (XRF) confirmed the expected elemental composition and homogenous Ni incorporation. UV–Vis spectra and DFT revealed strong UV absorption accompanied by a monotonic band gap narrowing, indicating preserved electronic integrity. The photoluminescence (PL) results exhibited defect-related emissions that enhance charge transport. The interplay of morphology, structure, and optical response verifies controlled band-structure design through Ni doping. The coupled properties make Ni-doped SnO₂ a promising material for UV-optoelectronic devices.

本文报道了用实验技术和DFT计算相结合的方法研究了Ni掺杂SnO2纳米材料（0-5% Ni）的合成和表征。Rietveld精细x射线衍射（XRD）鉴定了所有样品的金红石四方结构，晶体尺寸从~ 33 nm减小到17 nm，镍掺入后细胞体积略有增加。傅里叶变换红外光谱（FTIR）表明，以最小的位移保留了主要的Sn-O振动模式。透射电子显微镜（TEM）图像显示准球形纳米颗粒在掺杂后具有系统的尺寸减小。能量色散x射线（EDX）和x射线荧光（XRF）证实了预期的元素组成和均匀的Ni掺入。紫外可见光谱和DFT显示强紫外吸收伴随单调带隙缩小，表明保持了电子完整性。光致发光（PL）结果显示缺陷相关的发射增强电荷输运。形貌、结构和光响应的相互作用验证了通过Ni掺杂设计可控带结构的可行性。这种耦合特性使ni掺杂SnO2成为一种很有前途的紫外光电器件材料。

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