Inorganic Chemistry Frontiers最新文献_第5页

From Ca3Be(SeO3)4 to SrBe(SeO3)2: Two Unprecedented Alkaline Earth Metal Beryllium Selenites with Large Band Gaps and Enhanced Birefringence

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-19 DOI: 10.1039/d5qi00039d

Xinyi Wang, Xin Wen, Yuchen Yan, Jindong Chen, Guangsai Yang, Guang Peng, Ning Ye

引用次数: 0

P Vacancy-Induced Electron Redistribution and Phase Reconstruction of CoFeP for Overall Water Splitting at Industrial-Level Current Density

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-19 DOI: 10.1039/d4qi03351e

Xueling Wei, Yang Jiao, Xiangyu Zou, Yuchen GUO, Wenhu Li, Taotao Ai

{"title":"P Vacancy-Induced Electron Redistribution and Phase Reconstruction of CoFeP for Overall Water Splitting at Industrial-Level Current Density","authors":"Xueling Wei, Yang Jiao, Xiangyu Zou, Yuchen GUO, Wenhu Li, Taotao Ai","doi":"10.1039/d4qi03351e","DOIUrl":"https://doi.org/10.1039/d4qi03351e","url":null,"abstract":"Hydrogen production through water splitting using transition metal-based phosphide electrocatalysts represents a highly promising and sustainable energy conversion strategy. In this study, phosphating and vacancies engineering through Ar plasma-assisted is achieved via a single-step process. Taking CoFePv with phosphorus vacancies (Pv) as bifunctional electrocatalysts, it effectively promotes both the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), thereby significantly facilitating overall water splitting (OWS) in alkaline media. In OER and HER processes, the driving potentials needed to attain current density of 1 A cm-2 are only 382 and 367 mV, respectively. Furthermore, the CoFePv (+, −) OWS electrolyzer is capable of maintaining a current density of 2 A cm⁻² at 1.98 V under simulated industrial settings (6 M KOH, 80°C). It also demonstrates stable performance at a current density of 0.5 A cm⁻² for a duration of 100 hours. In-situ Raman spectroscopy observations show that Pv induce rapid catalyst phase reconstruction, thereby significantly enhancing the OER performance of CoFePv. Density functional theory (DFT) calculations demonstrate that phosphorus vacancies can modulate the electronic properties of Co-Fe-P, facilitate electron transfer, as well as optimize the adsorption and desorption of reaction intermediates.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"1 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143451956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Organophosphonate- and dimethylarsinate-functionalized hexamolybdates(V) and their solution and gas phase properties

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-18 DOI: 10.1039/d4qi03215b

Vinaya Siby, Arun Pal, Bassem Bassil, Saurav Bhattacharya, Anusree Sundar, Juliane Oberstein, Damin Kim, Rizul Gupta, Alisher Kuanysh, Jana Hölscher, Dorothea Schmidt, Nikolai Kuhnert, Ulrich Kortz

引用次数: 0

A Potential UV Nonlinear-Optical Crystal with Strong Second-Harmonic Response: RbNa2Eu2(BO3)3

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-18 DOI: 10.1039/d4qi03330b

Dan Li, Jingyu Shang, Ming Gao, Jiangtao fan, Zhangui Hu, Ping Peng, Yicheng Wu

{"title":"A Potential UV Nonlinear-Optical Crystal with Strong Second-Harmonic Response: RbNa2Eu2(BO3)3","authors":"Dan Li, Jingyu Shang, Ming Gao, Jiangtao fan, Zhangui Hu, Ping Peng, Yicheng Wu","doi":"10.1039/d4qi03330b","DOIUrl":"https://doi.org/10.1039/d4qi03330b","url":null,"abstract":"Ultraviolet (UV) nonlinear optical (NLO) crystals with second-harmonic generation (SHG) response can efficiently output UV coherent light, which has important applications in UV solid-state lasers. Herein, we designed and synthesized a novel Eu-based borate (NLO) crystal, RbNa2Eu2(BO3)3 (RNEBO), which introduces Eu to A3RE2(BO3)3 (A = alkali metal, RE = rare earth) system applied in the UV direction firstly and exhibits both strong SHG activity and widely optical transmission window. The RNEBO crystallizes into the non-centrosymmetric (NCS) space group Amm2, featuring a three-dimensional framework of [EuBO3]∞ layers with isolated [BO3]3- groups bridging in a coplanar arrangement. Meanwhile, the alkali metal cations Rb+ and Na+ were incorporated into the void of the anion framework to ensure coordination and charge balance. The distinctive internal structure endows RNEBO to possess large SHG response (~3.55 × KDP) and UV transmittance of 6.17% at 200nm. This finding confirms that RNEBO is a potentially UV NLO crystals and provides valuable insights for the exploration of Eu-based borate UV NLO crystals in the future.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"13 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

UN@C2(13)-C84: A Diatomic Cluster with a U≡N Triple Bond inside a C84 Fullerene Cage

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-17 DOI: 10.1039/d4qi03242j

Ning Chen, Qingyu Meng, Yannick Roselló, Yi Shen, Yang-Rong Yao, Josep M. Poblet, Antonio Rodriguez-Fortea

{"title":"UN@C2(13)-C84: A Diatomic Cluster with a U≡N Triple Bond inside a C84 Fullerene Cage","authors":"Ning Chen, Qingyu Meng, Yannick Roselló, Yi Shen, Yang-Rong Yao, Josep M. Poblet, Antonio Rodriguez-Fortea","doi":"10.1039/d4qi03242j","DOIUrl":"https://doi.org/10.1039/d4qi03242j","url":null,"abstract":"A novel monometallic nitride clusterfullerene, UN@C84, has been successfully synthesized and characterized. Single-crystal X-ray diffraction analysis reveals that a rare diatomic UN cluster, one of the smallest known encapsulated clusters, is encapsulated within a carbon cage of C2(13)-C84, featuring a U≡N triple bond with a very short bond length of 1.763(10) Å. This bond length remains nearly unchanged compared to previously reported UN@C82 isomers, suggesttng that the intrinsic nature of the encapsulated U≡N triple bond was not affected by cage size. Furthermore, combined with the previous studies about the metal position and the symmetry plane of the carbon cage, we discover that in monometallic endohedral metallofullerenes, the encapsulated metal atom preferentially aligns not only with the symmetry plane but also with the symmetry axis of the fullerene cage, namely the symmetry elements of the carbon cage, thereby preserving the overall molecular symmetry. These results deepen our understanding of positional principles for encapsulated metal atoms and provide valuable guidance for the crystallographic refinement of EMFs, offering new insights into the structural analysis, prediction, and further exploration of novel EMFs.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"88 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143426995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

A bifunctional heterostructure promoting the kinetics and stability of sulfur cathodes in advanced aluminum–sulfur batteries

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-17 DOI: 10.1039/d4qi02117g

Xiao Zheng, Xiaoqi Han, Wenjiao Yao, Liangming Wei, Jie Zhu, Yongbing Tang

{"title":"A bifunctional heterostructure promoting the kinetics and stability of sulfur cathodes in advanced aluminum–sulfur batteries","authors":"Xiao Zheng, Xiaoqi Han, Wenjiao Yao, Liangming Wei, Jie Zhu, Yongbing Tang","doi":"10.1039/d4qi02117g","DOIUrl":"https://doi.org/10.1039/d4qi02117g","url":null,"abstract":"The aluminum–sulfur battery is an ideal energy storage device with the merits of low cost, safety, and high energy density. However, due to the poor conductivity of sulfur and its soluble discharge products, the kinetics of sulfur and polysulfide redox reactions are very slow. Herein, a porous flaky Ti3C2Tx-Co host material is designed, which can form a Ti3C2Tx-CoSx heterostructure in situ with sulfur. The unique heterostructure provides many catalytic anchoring sites and active sites for enhancing the adsorption and conversion of sulfur and polysulfides. Compared with pure Ti3C2Tx, Ti3C2Tx-CoSx greatly reduces the decomposition energy barrier of discharge products and accelerates the redox kinetics of sulfur species. The Ti3C2Tx-CoSx@S cathode realizes fast charging at 1 A g−1 and achieves a long cycle life of 1000 cycles with discharge capacities in the range of 215–358 mA h g−1. Even at 1.5 A g−1, the cathode can still achieve a capacity greater than 190 mA h g−1 for over 1500 cycles. Using Ti3C2Tx-Co as the host of sulfur, a reversible redox reaction among S, S− and S2− occurred during the charge–discharge process, indicating its potential for use in high-performance Al–S batteries.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"7 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143426958","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Synthesis and characterization of neutral and cationic 1‑tris(pyrazolyl)borate organo-beryllium complexes

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-17 DOI: 10.1039/d4qi03234a

Chantsalmaa Berthold, Gilles Stebens, Burkhard Butschke, Inga-Alexandra Bischoff, André Schäfer, Chengxiang Ding, Sudip Pan, Magnus Richard Buchner

引用次数: 0

Heavy Atom engineering of Ru(II) Complex based Sonosensitizers for Enhancing Antifungal Therapy

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-17 DOI: 10.1039/d5qi00180c

Qian Li, Yida Pang, Shiming Liang, Yujia Jiao, Sheng Qiu, Hui Chen, Long-Can Mei, Huiling Wang, Xi wen Xing, Yao Sun

{"title":"Heavy Atom engineering of Ru(II) Complex based Sonosensitizers for Enhancing Antifungal Therapy","authors":"Qian Li, Yida Pang, Shiming Liang, Yujia Jiao, Sheng Qiu, Hui Chen, Long-Can Mei, Huiling Wang, Xi wen Xing, Yao Sun","doi":"10.1039/d5qi00180c","DOIUrl":"https://doi.org/10.1039/d5qi00180c","url":null,"abstract":"Despite advance on antifungal therapy in the past decade, the issues of fungal resistance and a lack of effective treatments are still of major concern in clinical practice. Recently, sonodynamic therapy (SDT) is at the forefront of the research on biomedicine, yet, the employment of sonosensitizers and SDT on antifungal infections is still on its early stages. Herein, we designed and synthesized a series of Ru(II) complex-based sonosensitizers (RuH-RuBr) with enhancing ultrasound-triggered ROS generation for antifungal applications. The heavy atom (etc. Br) engineering strategy has been well employed to narrow the HOMO-LUMO energy gap of Ru(II) sonosensitizers, particularly in RuBr, which resulted in a significant boost in ROS generation (11.8 fold). In vitro results indicated that RuBr demonstrated both good anti-Candida albicans activity (MIC = 5 μM) and low mammalian cells toxicity (survivial rate > 80%) under US irradiation. Further mechanism investigation suggested RuBr initially aggregated on the fungal cell membrane and subsequently ultrasound-activated ROS accumulation, leading to mitochondrial damage and triggering changes of mitochondrial membrane potential. In vivo studies also revealed that RuBr exhibited similar antifungal performance but lower systemic toxicity when compared to the conventional clinical antifungal amphotericin B (AmB). This research offered significant insights into the design of high-performance sonosensitisers and lay the foundation for innovative antifungal therapeutic strategies.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"1 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143426994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Rate-dependent structure-electrochemistry relationships and origins of capacity fading in P2-type Na2/3Fe2/3Mn1/3O2

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-14 DOI: 10.1039/d4qi02804j

Damian Goonetilleke, Begoña Silvan, Elena Gonzalo, Montserrat Galcerán, Montse Casas-Cabanas, Maxim Avdeev, François Fauth, Teófilo Rojo, Neeraj Sharma, Damien Saurel

{"title":"Rate-dependent structure-electrochemistry relationships and origins of capacity fading in P2-type Na2/3Fe2/3Mn1/3O2","authors":"Damian Goonetilleke, Begoña Silvan, Elena Gonzalo, Montserrat Galcerán, Montse Casas-Cabanas, Maxim Avdeev, François Fauth, Teófilo Rojo, Neeraj Sharma, Damien Saurel","doi":"10.1039/d4qi02804j","DOIUrl":"https://doi.org/10.1039/d4qi02804j","url":null,"abstract":"Sodium transition metal oxides with layered structures have generated significant research interest as promising cathode materials for use in ambient temperature sodium-ion batteries. In this study, the structure and magnetic properties of P2-Na2/3Fe2/3Mn1/3O2 are investigated, in tandem with operando diffraction studies to resolve the structural changes taking place in the material when subject to variable current cycling in the range 1.5–4.2 V vs. Na+/Na0. Complementary diffraction studies are used to provide insight into the mechanism of sodium de-intercalation in P2-Na2/3Fe2/3Mn1/3O2 at low rates, as well as high current densities up to 1 C, enabled by the excellent time resolution allowed by high intensity synchrotron radiation. The structural evolution is found to differ markedly depending on the applied current density which illustrates the need to perform such structural studies under various applied current rates to better understand processes taking place in the electrode. The results obtained shed new light on the reaction mechanism of P2-type layered oxides and provide insight into some of the causes for their capacity fading.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"104 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Synthesis of Non-Precious Metal Complexes (Al, Mg, Zn) and Their Catalytic Application in Isocyanate Reduction

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-14 DOI: 10.1039/d4qi02853h

Ziyuan Pang, Xiaoli Ma, Wenliang Yan, Yiwen Chen, Xiaobo Yang, Congjian Ni, Peng Wu, Zhi Yang

引用次数: 0