Inorganic Chemistry Frontiers最新文献

{"title":"A superparaelectric design with structure optimization enables superior energy-storage performances and stabilities in (Na0.5Bi0.5)TiO3-based ceramics","authors":"Xiangjun Meng, Ying Yuan, Bin Tang, Enzhu Li","doi":"10.1039/d5qi00216h","DOIUrl":"https://doi.org/10.1039/d5qi00216h","url":null,"abstract":"Lead-free (Na<small>_0.5</small>Bi<small>_0.5</small>)TiO<small>₃</small>-based dielectric materials are promising for electrostatic energy storage due to their strong polarization response and environmental friendliness. However, challenges like high electric hysteresis loss (<em>W</em><small>_loss</small>) and low electric breakdown strength (<em>E</em><small>_b</small>) limit their recoverable energy density (<em>W</em><small>_rec</small>) and energy conversion efficiency (<em>η</em>). A superparaelectric design with structure optimization has been proposed to overcome these restrictions. Based on this strategy, a series of (1 − <em>x</em>)(Na<small>_0.3</small>Bi<small>_0.38</small>Sr<small>_0.28</small>)TiO<small>₃</small>–<em>x</em>Ca(Ta<small>_0.2</small>Ti<small>_0.75</small>)O<small>₃</small> (abbreviated as (1 − <em>x</em>)NBST–<em>x</em>CTT; <em>x</em> = 0.0, 0.1, 0.2, 0.3, and 0.4) ceramics were fabricated. Their phase structure gradually evolves from the rhombohedral and tetragonal coexistence (<em>R</em>&amp;<em>T</em>) to the tetragonal and cubic coexistence (<em>T</em>&amp;<em>C</em>), accompanied by the increasing proportion of weakly coupled and highly dynamic polar structures. This behavior enables the establishment of a superparaelectric relaxor ferroelectric (SPE-RFE) state, reducing <em>W</em><small>_loss</small>, enhancing <em>η</em>, and improving dielectric stability. The improved microstructure with refined grains boosted <em>E</em><small>_b</small>, further contributing to excellent performances. Notably, the optimized 0.6NBST-0.4CTT SPE-RFE ceramic, with high <em>E</em><small>_b</small>, large polarization difference (Δ<em>P</em>), and slight <em>W</em><small>_loss</small>, delivered a large <em>W</em><small>_rec</small> of 6.90 J cm<small>⁻³</small> with a high <em>η</em> of 92.55% at 600 kV cm<small>⁻¹</small>, alongside excellent dielectric stability (−60 to 135 °C) following the EIA-X7R standard. Moreover, a high power density (∼125 MW cm<small>⁻³</small>) and an ultrafast charge–discharge rate (<em>t</em><small>_0.9</small> ∼ 33 ns) were realized at 300 kV cm<small>⁻¹</small>. Encouragingly, the 0.6NBST-0.4CTT SPE-RFE ceramic also exhibits excellent energy-storage/charge–discharge stabilities. These results highlight the promising potential of the 0.6NBST–0.4CTT SPE-RFE ceramic for electrostatic energy storage. They also confirm the effectiveness of this strategy and provide valuable guidance for advancing dielectric energy-storage materials/capacitors.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"42 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837399","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}

{"title":"π-conjugated organic molecule modified strategy to achieve high-performance metal nitrate birefringent crystal","authors":"Yi-Lei Lv, Liang Ma, Guo-Ren Zhu, Bing-Wei Miao, Wen-Long Liu, Sheng-Ping Guo, Ru-Ling Tang","doi":"10.1039/d5qi00730e","DOIUrl":"https://doi.org/10.1039/d5qi00730e","url":null,"abstract":"Birefringent crystals that can modulate the polarization of light play an important role in modern scientific research. However, the birefringence of current commercial crystals is limited to inorganic compounds and the coefficients are generally lower than 0.3, rendering it challenging to fulfill stringent standard requirements. Therefore, developing the development of superior birefringent materials has emerged as a significant area of research. In this work, we synthesized a Hg-based nitrate Hg3O2(NO3)2·H2O, which is built by [(Hg3O2)2+]∞ layers and isolated NO3− anions. Hg3O2(NO3)2·H2O shows a large experimental birefringence (Δn = 0.25@546 nm). In order to improve birefringent property, we adopted π-conjugated organic molecule modified strategy to achieve high-performance metal nitrate birefringent crystals , and successfully synthesized a new Hg-based hybrid nitrate (CH5N3S)2Hg(NO3)2. The crystal structure of (CH5N3S)2Hg(NO3)2 is composed of [((CH5N3S)2Hg)2+]∞ units and isolated NO3− anions. Notably, it has an enhanced experimental birefringence (Δn = 0.32@546 nm), which is excellent among all metal nitrates. Structural analysis and theoretical calculations show that for Hg3O2(NO3)2·H2O, HgO2 and nitrate play a crucial role in optical anisotropy. For (CH5N3S)2Hg(NO3)2, the interaction between CH5N3S molecules and cations as well as nitrate play a crucial role in optical anisotropy. The research shows that the introduction of π-conjugated organic molecules is an effective strategy for developing high-performance birefringent materials.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"6 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837384","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}

{"title":"Be atoms in fullerenes: strong metal-cage covalency with formation of Be-Be banana bonds, multicenter bonds and trapped superatoms","authors":"Shuaijiang Liu, Peng Jin","doi":"10.1039/d5qi00531k","DOIUrl":"https://doi.org/10.1039/d5qi00531k","url":null,"abstract":"A genuine Be-Be bond does not exist in the Be2 dimer due to the formal zero bond order predicted by the molecular orbital theory. Endohedral metallofullerenes (EMFs) have recently been used to obtain some elusive metal-metal bonds involving rare-earth and actinide elements via the cage encapsulation, but their potential in stabilizing the Be-Be bond still remains unexplored thus far. In this work, density functional theory calculations were carried out to investigate various fullerenes with different numbers of Be atoms inside, including Be@C2n (2n = 24, 32, 60, 74) mono-EMFs, Be2@C2n (2n = 60, 74) di-EMFs and Bex@C60 (x = 3-14) multi-EMFs. They mostly could experimentally form due to the large encapsulation energies, sizable HOMO-LUMO gaps and feasible metal insertion energy barriers. The obvious intramolecular charge transfer makes their metal-cage interactions mainly ionic but with substantial covalency even comparable to the actinide EMFs. Interestingly, rare two-center two-electron (2c-2e) Be-Be bonds with banana characteristics form inside the di-EMFs, and the bond length and bond shape can be flexibly regulated by simply changing the cage sizes. When multiple Be atoms are encased, they could form distinct multicenter bonds and simultaneously exhibit obvious superatomic characteristics, thus significantly enhancing the system stability. By finely tuning the electron number on internal metals, entrapped magic clusters such as the Be13 unit in (Be13@C60)4- anion obeying the jellium shell model (1S21P61D10) can be readily obtained. Our study unprecedentedly unveils the intriguing metal-cage and metal-metal interactions in the long overlooked Be-based EMFs. It not only demonstrates the great potential of fullerenes for achieving unusual and tailorable chemical bonds, but also introduces them as a novel platform to obtain more superatom clusters with new structures and properties.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"90 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832232","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}

{"title":"Dehydrogenation of Sodium Borohydride and Ammonia Borane over Cobalt-Based Catalysts: Advances and Prospects","authors":"Li Xiugang, Longhua Yao, Qilu Yao, Jianhui Xia, Zhang-Hui Lu","doi":"10.1039/d5qi00253b","DOIUrl":"https://doi.org/10.1039/d5qi00253b","url":null,"abstract":"Chemical hydrogen storage is acknowledged as a promising approach for hydrogen storage, offering numerous ad-vantages, such as high energy density, enhanced safety, environmental adaptability, as well as potential economic benefits. Among the chemical hydrogen storage materials that have been reported, sodium borohydride and ammonia borane have attracted considerable scholarly interest due to their capacity to release hydrogen conveniently via sol-volysis processes, such as hydrolysis and methanolysis, under ambient temperature conditions. Cobalt-based nanocat-alysts, as representatives of non-noble metals, have been extensively investigated as cost-effective and efficient cata-lysts for the hydrogen evolution from the solvolysis of sodium borohydride and ammonia borane. Nevertheless, a comprehensive review specifically focusing on cobalt-based catalysts for hydrogen production from sodium borohy-dride and ammonia borane has yet to be published. In this review, we provide an all-sided summary of the historical development and recent advancements in cobalt-based catalysts for hydrogen generation from sodium borohydride and ammonia borane, encompassing their synthesis methods, notable performances, and potential catalytic mecha-nisms. Our objective is to establish a reliable structure-property relationship and offer guidance for the future design of catalysts for hydrogen evolution from sodium borohydride and ammonia borane.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"120 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832236","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}

{"title":"Multi-color afterglow from amorphous hybrid perovskites for flexible programmable composites with heterostructure","authors":"Liwen Kang, Jinyu Xu, Jun-Yan Wu, Qidan Ling, Zhenghuan Lin","doi":"10.1039/d5qi00556f","DOIUrl":"https://doi.org/10.1039/d5qi00556f","url":null,"abstract":"Organic-inorganic hybrid perovskites (OIHPs) with ultralong organic phosphorescence (UOP) have attracted much attention because of the unique optical properties and long lifetime. However, developing amorphous UOP perovskites with excellent processing performance remains a significant challenge. Herein, N-aminoethyl piperazine is employed as a non-conjugated ligand to synthesize amorphous Cd-based OIHPs (named as AC-A) which exhibit a white-light emission and green phosphorescence of the clusters formed by organic ligands. Due to the ultralong lifetime of phosphorescence, the AC-A perovskites display a green long afterglow lasting for up to 8s. The afterglow color can be adjusted to orange and red by doping inorganic and organic guest, respectively. Furthermore, flexible and adhesive threadiness heterostructure composites with different afterglow color are prepared by coating polylactic acid on AC-A, and successfully applied to a programmable information encryption system. This work not only utilizes rigid inorganic octahedra to protect organic clusters and realizes UOP in amorphous hybrid perovskite, but also provides a new design idea and example for developing amorphous flexible cluster luminescent materials with multi-color afterglow.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"7 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832237","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}

{"title":"Hg2(HTe2O5)(PO4): A novel phosphate crystal with enhanced birefringence enabled by the synergistic modification of multiple functional groups","authors":"Peng-Fei Li, Chun-Li Hu, Bo Zhang, Jiang-Gao Mao, Fang Kong","doi":"10.1039/d5qi00757g","DOIUrl":"https://doi.org/10.1039/d5qi00757g","url":null,"abstract":"Birefringent crystals are crucial for the miniaturization of optical devices. Phosphate crystals, characterized by their highly symmetrical tetrahedral structures, exhibit excellent stability and wide optical bandgaps. However, their intrinsic symmetry typically results in low birefringence, with most phosphate compounds having birefringence values below 0.1. Efforts to enhance birefringence by introducing highly anisotropic ions and groups have been impeded by the tetrahedral coordination of phosphate, which often leads to the cancellation of anisotropic effects. To address this challenge, we propose an approach that leverages the synergistic modification of multiple functional groups to disrupt the anisotropic cancellation in phosphate crystals and significantly enhance their birefringence. Specifically, we incorporate Te(IV), which features stereo-chemically active lone pairs, and Hg(II), known for its high polarizability and deformability, into the phosphate system. We synthesized a novel phosphate compound, Hg2(HTe2O5)(PO4), which exhibits a calculated birefringence of 0.162 at 546 nm and a measured birefringence of 0.168 at 546 nm. This value is comparable to that of the commercial birefringent material CaCO3 (Δn=0.172@546 nm) and surpasses most previously reported phosphate materials. Additionally, Hg2(HTe2O5)(PO4) demonstrates a wide bandgap and excellent stability. Using the PAWED method, we determined that the significant birefringence of Hg2(HTe2O5)(PO4) is primarily due to the combined contributions of the HgO7 polyhedra (19.86%), PO4 tetrahedra (29.17%), and Te2O5 groups (47.40%). Our work demonstrates that the synergistic modification of multiple functional groups is an effective strategy for enhancing the birefringence of tetrahedral compounds, providing a new pathway for the development of high-performance birefringent materials.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"48 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832240","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}

{"title":"Silagermylenation of C=O bonds and radical fragmentation of CO2-expanded bis(germylene) by a cyclic (alkyl)(amino)carbene","authors":"Anna-Lena Thömmes, Robin Völker, Bernd Morgenstern, Michael Zimmer, Dominik Munz, Christopher W. M. Kay, David Scheschkewitz","doi":"10.1039/d5qi00678c","DOIUrl":"https://doi.org/10.1039/d5qi00678c","url":null,"abstract":"The transformation of the greenhouse gas CO<small>₂</small> into value-added products represents a major contemporary challenge. Low-valent p-block compounds typically react at the oxygen termini of CO<small>₂</small> due to the oxophilicity of the metal centers. We now report on the selective activation of CO<small>₂</small> and ethyl isocyanate at the central carbon atom by an N-heterocyclic carbene (NHC)-stabilized <em>para</em>-silylenephenylene-bridged bis(germylene). During the net silagermylenation, the C=X (X = O, NEt) bonds are inserted into the Ge–Si bonds through cooperativity of the low-valent metal center and the electrophilic silyl backbone. The germanium(II) centers are retained in the products, as is confirmed by multinuclear NMR data, IR spectroscopy and X-ray analysis and supported by DFT calculations. Attempts to substitute the NHCs by cyclic (alkyl)(amino)carbenes (CAACs) resulted in a germylene-CAAC radical by homolytic cleavage of the Si–O bonds as evidenced by single crystal X-ray diffraction and continuous-wave EPR spectroscopy.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"26 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832233","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}

{"title":"Optimizing Oxygen Reduction Reaction Performance in Pt-based Catalysts through Fe/Ce Dual-Component Interface Engineering on Nitrogen-Doped Carbon","authors":"Zigang Zhao, Pan Guo, Bo Liu, Miao Ma, Lixiao Shen, Yunlong Zhang, Lei Zhao, Guiling Wang, Zhenbo Wang","doi":"10.1039/d5qi00768b","DOIUrl":"https://doi.org/10.1039/d5qi00768b","url":null,"abstract":"The advancement of high-efficiency Pt catalysts with reduced Pt loading is crucial for proton exchange membrane fuel cells (PEMFCs). This research presents a methodology that significantly increases the performance of Pt/C through the interactions between Pt and Fe-Nx/Ce-Nx on carbon, thereby effectively reducing Pt consumption. Density functional theory (DFT) calculations indicate that the presence of Fe-Nx/Ce-Nx together enhances the strong interaction between Pt and FeCe-NC, decreasing the d-band energy level (εd) of Pt, which leads to the reduction of O* adsorption and acceleration of desorption at the Pt sites. Consequently, the Pt/FeCe-NC demonstrates exceptional performance for the ORR. The Pt/FeCe-NC has an E1/2 of 0.927 V and decays by only 7 mV after 30,000 accelerated stress test (AST) cycles under acidic conditions. Furthermore, the Pt/FeCe-NC (2.14 W/cm2) surpasses Pt/C (1.78 W/cm2) regarding peak power density in PEMFCs. This innovative approach clarifies the interactions between Pt and Fe-Nx/Ce-Nx, providing a framework for the design of advanced catalysts.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"40 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832239","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}

{"title":"Enhancing upconversion luminescence via intermediate state in double perovskite phosphor: three-mode optical thermometry with python-assisted validation","authors":"Ruitong Song, Sen Yan, Shihao Duan, Xin Yang, Esmond A. Balfour, Hao Fu","doi":"10.1039/d5qi00572h","DOIUrl":"https://doi.org/10.1039/d5qi00572h","url":null,"abstract":"High luminescence intensity, multiple modes, and high sensitivity are critical to achieving high measurement accuracy for optical thermometry in microelectronic devices and biological systems. The double perovskite phosphor, Ca2Sc0.63Mg0.07SbO6:Yb3+,Er3+, proves to be promising in overcoming these challenges. A simple high-temperature solid-phase method was used to prepare this sample which was found to exhibit red anti-Stokes luminescence under 980 nm excitation. Heterovalent substitution of Mg2+ for Sc3+ leads to lattice shrinkage and oxygen vacancy content enhancement. The induced generation of the intermediate state by the oxygen vacancy is significantly increased. This consequently enhances the upconversion luminescence intensity. The Ca2Sc0.63Mg0.07SbO6:Yb3+,Er3+ phosphor is capable of three-mode optical thermometry by thermally coupled energy states (TCES), non-thermally coupled energy states (NTCES), and CIE chromaticity shift. The NTCES-based mode has a notable relative sensitivity of Sr-max = 4.8% K-1 and superior signal resolution δT = 0.016 K. Furthermore, the NTCES-based model was tested for practical applications, and the difference between the predicted theoretical temperature and the actual test temperature was kept within 6 K after about 100,000 evaluations via Python assistance.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"74 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832238","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}

{"title":"Mechanism behind oxidase activity of cellulose-active AA10 lytic polysaccharide monooxygenases","authors":"Erna Katharina Wieduwilt, Marlisa Muriel Hagemann, Ulf Ryde, Erik Donovan Hedegård","doi":"10.1039/d5qi00796h","DOIUrl":"https://doi.org/10.1039/d5qi00796h","url":null,"abstract":"Lytic polysaccharide monooxygenases (LPMOs) are copper enzymes that boost the degradation of different polysaccharides and play important roles in the sustainable production of biofuels, in human and plant pathogens, and potentially also in plastic degradation. Their activity depends on a co-substrate, where recent results show that hydrogen peroxide is the preferred co-substrate. Under typical experimental conditions, no hydrogen peroxide is added and it is instead produced <em>in situ</em> by LPMOs themselves, which could be the rate-limiting step. Previous theoretical investigations of the oxidase reaction have been highly inhomogeneous, and focused on different aspects of LPMO reactivity. In this paper, we systematically investigate how LPMOs generate hydrogen peroxide using accurate quantum mechanics/molecular mechanics (QM/MM) hybrid methods with extended QM regions. We find that the reaction of the reduced LPMO active site with O<small>₂</small> yields a superoxide coordinated to Cu(II), from which [Cu(II)-OOH<small>^-</small>]<small>⁺</small> can be formed via a proton-coupled electron transfer, using a second-coordination-sphere histidine as proton donor. Either OOH<small>^–</small> dissociates from this species (while abstracting a proton from a water molecule) or [Cu(II)−OOH<small>^–</small> ]<small>⁺</small> reacts in a second protonation from the second-sphere histidine, yielding [Cu(II)−H<small>₂</small>O<small>₂</small> ]<small>²⁺</small>, followed by dissociation of H<small>₂</small>O<small>₂</small>. Energetically, all three oxygen species can dissociate into solution, but the dissociation of H<small>₂</small>O<small>₂</small> from the Cu(II) active-site is the most favorable while dissociation of O<small>₂</small><small>^.-</small> is least favorable.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"72 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832235","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}