Journal of Rare Earths最新文献

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In situ high-temperature regeneration of CrCe/β-zeolite catalysts for toluene catalytic combustion 甲苯催化燃烧用CrCe/β-沸石催化剂的原位高温再生
IF 9.6 1区 化学
Journal of Rare Earths Pub Date : 2026-08-01 Epub Date: 2025-09-29 DOI: 10.1016/j.jre.2025.09.037
Zetao Jin, Zhuo Wang, Hanqi Ning, Shufeng Zuo, Jing Li
{"title":"In situ high-temperature regeneration of CrCe/β-zeolite catalysts for toluene catalytic combustion","authors":"Zetao Jin,&nbsp;Zhuo Wang,&nbsp;Hanqi Ning,&nbsp;Shufeng Zuo,&nbsp;Jing Li","doi":"10.1016/j.jre.2025.09.037","DOIUrl":"10.1016/j.jre.2025.09.037","url":null,"abstract":"<div><div>This study reports the development of a CrCe/β-zeolite catalyst exhibiting outstanding thermal stability and systematically examined its deactivation under sulfur poisoning during toluene catalytic combustion, as well as the mechanism of <em>in situ</em> high-temperature regeneration. Instead of the conventional SO<sub>2</sub>-gas-based poisoning method, quantitative sulfur poisoning is achieved via thermal decomposition of ammonium sulfate <em>in situ</em>. Sulfur poisoning markedly diminishes the catalytic activity, whereas <em>in situ</em> high-temperature regeneration progressively restores its performance. The incorporation of CeO<sub>2</sub> suppresses structural collapse and active-site agglomeration under thermal stress, acting simultaneously as a sacrificial agent and structural stabilizer, and thus preserves high catalytic activity even after multiple poisoning-regeneration cycles. The proposed <em>in situ</em> high-temperature regeneration strategy offers a straightforward and effective approach for restoring sulfur-poisoned catalysts and promises significant practical applicability.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"44 8","pages":"Pages 2376-2384"},"PeriodicalIF":9.6,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148660554","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
Fast-response photochromic behavior and luminescence modulation in Eu3+-doped glass via rare earth-assisted oxygen vacancy engineering for rewritable optical storage 稀土辅助氧空位工程用于可重写光存储的Eu3+掺杂玻璃的快速响应光致变色行为和发光调制
IF 9.6 1区 化学
Journal of Rare Earths Pub Date : 2026-08-01 Epub Date: 2025-09-09 DOI: 10.1016/j.jre.2025.09.013
Zhaojing Kuang, Yongmin Duan, Mengdi Ye, Ying Tian, Junjie Zhang
{"title":"Fast-response photochromic behavior and luminescence modulation in Eu3+-doped glass via rare earth-assisted oxygen vacancy engineering for rewritable optical storage","authors":"Zhaojing Kuang,&nbsp;Yongmin Duan,&nbsp;Mengdi Ye,&nbsp;Ying Tian,&nbsp;Junjie Zhang","doi":"10.1016/j.jre.2025.09.013","DOIUrl":"10.1016/j.jre.2025.09.013","url":null,"abstract":"<div><div>Developing photochromic (PC) glass with fast response, high stability, and reversible modulation remains a key challenge for optical storage and anti-counterfeiting applications. Here, Eu<sup>3+</sup>-doped PC glass with rapid response and reversible bleaching was fabricated, which exhibits rapid darkening under 365 nm UV irradiation and reversible bleaching upon exposure to 465 nm light or mild thermal treatment. The glass shows a high transmittance contrast (Δ<em>R</em><sub>t</sub> = 66.41%) and luminescence modulation depth (Δ<em>I</em><sub>m</sub> = 85%), allowing reversible optical writing, erasing, and fluorescence-based reading. The PC behavior is governed by a photo-induced defect mechanism, in which UV excitation distorts [CdO<sub>6</sub>] octahedra and drives oxygen migration, generating non-bridging oxygens and oxygen vacancies. These vacancies trap electrons to form F centers, introducing localized states that enhance visible light absorption. Moreover, Eu<sup>3+</sup> ions possess dual functionalities, acting as red-emitting centers and participating in the formation and stabilization of photo-induced defects. This work demonstrates promising practical potential for rewritable optical storage and multi-channel anti-counterfeiting, while providing insight into the structure-defect-property relationship in rare earth-doped PC materials.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"44 8","pages":"Pages 2348-2358"},"PeriodicalIF":9.6,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148647108","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
First-principles insight into Cs2LaXCl6 (X = Au, Cu) double perovskites for photovoltaic and thermoelectric applications Cs2LaXCl6 (X = Au, Cu)双钙钛矿在光伏和热电应用中的第一性原理研究
IF 9.6 1区 化学
Journal of Rare Earths Pub Date : 2026-08-01 Epub Date: 2025-09-09 DOI: 10.1016/j.jre.2025.09.012
Muhammad Sajid, Sahar Abdalla, Laila S. Alqarni, Sadia Murtaza, Rasheed Ahmad Khera
{"title":"First-principles insight into Cs2LaXCl6 (X = Au, Cu) double perovskites for photovoltaic and thermoelectric applications","authors":"Muhammad Sajid,&nbsp;Sahar Abdalla,&nbsp;Laila S. Alqarni,&nbsp;Sadia Murtaza,&nbsp;Rasheed Ahmad Khera","doi":"10.1016/j.jre.2025.09.012","DOIUrl":"10.1016/j.jre.2025.09.012","url":null,"abstract":"<div><div>This work aims to provide a detailed comparative analysis using density functional theory (DFT) to explore the structural, electronic, optical, and thermoelectric (TE) properties of the halide double perovskites (HDPs) Cs<sub>2</sub>LaXCl<sub>6</sub> (X = Au, Cu). The novelty of the study lies in understanding how substituting Au with Cu alters the multifunctional behavior of these lead-free materials, which are of interest for energy and optoelectronic applications. The results indicate that both Cs<sub>2</sub>LaAuCl<sub>6</sub> and Cs<sub>2</sub>LaCuCl<sub>6</sub> retain cubic symmetry. The stability of the compounds is confirmed by their negative enthalpy of formation values, which are −2.092 eV for Cs<sub>2</sub>LaAuCl<sub>6</sub> and –2.179 eV for Cs<sub>2</sub>LaCuCl<sub>6</sub>. The semiconductor behavior of both materials is verified through density of states and spin-resolved band structure calculations, revealing indirect and direct band gaps of 2.19 eV and 0.87 eV for Cs<sub>2</sub>LaAuCl<sub>6</sub> and Cs<sub>2</sub>LaCuCl<sub>6</sub>, respectively. The optical properties reveal refractive index values of approximately 1.81 and 1.68 at zero photon energy. The maximum optical conductivity occurs near 5.89 eV for Cs<sub>2</sub>LaAuCl<sub>6</sub> and 6.02 eV for Cs<sub>2</sub>LaCuCl<sub>6</sub>, indicating strong UV absorption. Thermoelectric performance was evaluated using BoltzTraP, showing that Cs<sub>2</sub>LaCuCl<sub>6</sub> reaches a high figure of merit (<em>ZT</em>) value of 0.99 at room temperature. These findings highlight the potential for experimental realization of these compounds and confirm their suitability for UV optoelectronics, thermoelectric energy conversion, and data storage applications.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"44 8","pages":"Pages 2418-2427"},"PeriodicalIF":9.6,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148647399","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
Glycerol-modified CeO2 ultrasmall nanoparticles conferring efficient antioxidant activity and protection against UV-induced oxidative damage 甘油修饰的CeO2超小纳米颗粒具有有效的抗氧化活性和抗紫外线诱导的氧化损伤保护
IF 9.6 1区 化学
Journal of Rare Earths Pub Date : 2026-08-01 Epub Date: 2025-10-10 DOI: 10.1016/j.jre.2025.10.001
Bingjie Han, Yuxin Huang, Xuan Liu, Yuanyuan Bao, Shujing Li, Zhaohui Qu, Yongbo Lyu, Ke Wu
{"title":"Glycerol-modified CeO2 ultrasmall nanoparticles conferring efficient antioxidant activity and protection against UV-induced oxidative damage","authors":"Bingjie Han,&nbsp;Yuxin Huang,&nbsp;Xuan Liu,&nbsp;Yuanyuan Bao,&nbsp;Shujing Li,&nbsp;Zhaohui Qu,&nbsp;Yongbo Lyu,&nbsp;Ke Wu","doi":"10.1016/j.jre.2025.10.001","DOIUrl":"10.1016/j.jre.2025.10.001","url":null,"abstract":"<div><div>At present, the widespread biomedical application of cerium oxide nanoparticles (CeO<sub>2</sub> NPs) is still limited due to their tendency to aggregate in biological fluids, which reduces their specific surface area and diminishes their mimetic enzyme activities (e.g., catalase- or superoxide dismutase-like functions). In this work, ultra-small CeO<sub>2</sub> NPs modified by biodegradable glycerol (GCNs) were synthesized using a facile co<strong>-</strong>precipitation method at ambient temperature. The effect of glycerol modification on the physicochemical properties of ceria nanoparticles was evaluated, and it is noteworthy that the size of the GCNs decreases gradually from (8.42 ± 0.03) to (2.66 ± 0.02) nm, along with the resulting dispersibility in water improving inversely as the percentage of glycerol addition increases. In addition, the modification of glycerol also has a significant impact on the surficial electronic structure of GCNs. Compared to the unmodified CeO<sub>2</sub> counterparts (Ce Naked), the oxygen vacancies and Ce<sup>3+</sup> content of GCN–6 (66.6 wt% glycerol-modified) can be remarkably enhanced to almost twice higher than that of Ce Naked. As a result, the antioxidant activity towards scavenging 2,2-diphenyl-1-picrylhydrazyl radical (DPPH), superoxide, and hydroxyl free radicals has been significantly increased for GCN–6. In addition, HaCaT cells derived from human keratinocytes were employed to assess the cytotoxic effect and biocompatibility of GCN–6, and the HaCaT cell viability is not inhibited when the concentration of GCN–6 is less than 0.625 mg/mL. Furthermore, a reactive oxygen species (ROS) generation model was established using UVB irradiation to investigate the <em>in vitro</em> protective effect of GCN–6 on ROS-induced cell death. GCN–6 is proven to efficiently suppress the ROS production from oxidative stress in HaCaT cells stimulated by UVB radiation at a biocompatible concentration, indicating that the glycerol-modified GCN–6 enhances HaCaT cell survival by eliminating excessive intracellular ROS, and further providing a superior photoprotection effect against harmful UV exposure. These results suggest that surface engineering of nanoceria using biocompatible glycerol can boost a high Ce<sup>3+</sup> ratio, thus exhibiting potential application in protecting from oxidative stress-associated skin damage, and is promising for widespread use in sunscreens as an additive UV-shielding ingredient.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"44 8","pages":"Pages 2441-2451"},"PeriodicalIF":9.6,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147330941","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
Negative thermal expansion triggered anti-thermal quenching luminescence in Tm3+/Yb3+/Sc3+-tridoped Lu2W3O12 upconverting microparticles for dual-mode optical thermometry 负热膨胀触发Tm3+/Yb3+/Sc3+-三掺杂Lu2W3O12上转换微球的反热猝灭发光,用于双模光学测温
IF 9.6 1区 化学
Journal of Rare Earths Pub Date : 2026-08-01 Epub Date: 2025-08-14 DOI: 10.1016/j.jre.2025.08.004
Jie Yang, Jiujun Zhu, Laihui Luo, Wei Xie, Weiping Li, Peng Du
{"title":"Negative thermal expansion triggered anti-thermal quenching luminescence in Tm3+/Yb3+/Sc3+-tridoped Lu2W3O12 upconverting microparticles for dual-mode optical thermometry","authors":"Jie Yang,&nbsp;Jiujun Zhu,&nbsp;Laihui Luo,&nbsp;Wei Xie,&nbsp;Weiping Li,&nbsp;Peng Du","doi":"10.1016/j.jre.2025.08.004","DOIUrl":"10.1016/j.jre.2025.08.004","url":null,"abstract":"<div><div>To settle the thermal quenching and dissatisfied sensitivity of luminescent materials, a series of Tm<sup>3+</sup>/Yb<sup>3+</sup>/Sc<sup>3+</sup>-tridoped Lu<sub>2</sub>W<sub>3</sub>O<sub>12</sub> upconverting microparticles was synthesized through sol–gel method. <em>In-situ</em> X-ray diffraction results reveal that the resultant samples have good negative thermal expansion (NTE) properties, which can be improved by Sc<sup>3+</sup> doping. Upon 980 nm excitation, the final products can emit brightness upconverison (UC) emissions and their intensities are able to be enhanced by Yb<sup>3+</sup> and Sc<sup>3+</sup> doping. Moreover, the temperature-dependent UC emission spectra suggest that the designed compounds possess anti-thermal quenching luminescence. Specially, these UC emissions from <sup>1</sup>G<sub>4</sub>, <sup>3</sup>F<sub>2,3</sub> and <sup>3</sup>H<sub>4</sub> levels show different responses to temperature, allowing their feasibilities in optical thermometry. Via utilizing the fluorescence intensity ratio technique to analyze the temperature-associated UC emissions from non-thermally coupled levels (non-TCLs), one knows that maximum absolute and relative sensitivities of developed upconverting microparticles are 0.124 K<sup>–1</sup> and 3.105%/K, respectively, while those of the resultant upconverting microparticles are 4.895 × 10<sup>−5</sup> K<sup>−1</sup> and 1.774%/K, respectively, when the TCLs are used. Our findings verify that the utilization of NTE effect is an efficient route to induce the anti-thermal quenching UC luminescence, and the thermometric properties of luminescent materials can also be regulated by selecting proper sensing strategy, spatial mode and doping content.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"44 8","pages":"Pages 2331-2339"},"PeriodicalIF":9.6,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147908239","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
Desorption mechanisms of rare earths from surface of ion adsorption rare earth ores: Cooperative interactions of hydrogen ions and MgSO4 revealed through batch experiments and sequential chemical extractions 离子吸附稀土矿表面稀土的解吸机理:氢离子与MgSO4的协同相互作用通过批量实验和序次化学萃取揭示
IF 9.6 1区 化学
Journal of Rare Earths Pub Date : 2026-08-01 Epub Date: 2025-07-05 DOI: 10.1016/j.jre.2025.07.008
Jiaxin Pan, Xiaowei Huang, Longsheng Zhao, Depeng Liu, Ting'an Zhang, Zongyu Feng
{"title":"Desorption mechanisms of rare earths from surface of ion adsorption rare earth ores: Cooperative interactions of hydrogen ions and MgSO4 revealed through batch experiments and sequential chemical extractions","authors":"Jiaxin Pan,&nbsp;Xiaowei Huang,&nbsp;Longsheng Zhao,&nbsp;Depeng Liu,&nbsp;Ting'an Zhang,&nbsp;Zongyu Feng","doi":"10.1016/j.jre.2025.07.008","DOIUrl":"10.1016/j.jre.2025.07.008","url":null,"abstract":"<div><div>The investigation of the leaching mechanisms of ion adsorption rare earth ores (IAREO) using MgSO<sub>4</sub> is significantly hindered by the complex mineral composition. In this study, the direct analogue of the natural IAREO sample, Y-kaolinite, was prepared and used to investigate the leaching mechanisms of rare earths from kaolinite under varying initial MgSO<sub>4</sub> concentrations and pH. The results of X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray absorption fine structure (XAFS) data indicate that the Y-kaolinite prepared exhibits a similar composition, micromorphology and coordination structure with nature IAREO sample. The coordination number and bond length of Y–O are 9.2 ± 1.4 and 0.23 ± 0.010 nm, respectively. The results of batch desorption experiments and sequential chemical extractions show that lowering the initial pH from 5.00 to 2.00 significantly enhances the desorption of rare earths from Y-kaolinite. Specifically, the additional desorption amounts are 0.52 mmol/kg for inorganic hydroxy Y (Hy-Y) and 0.40 mmol/kg for ion-exchangeable Y (Ex-Y). The enhancement mechanism was revealed by density functional theory (DFT) and Visual MINTEQ. The desorption of Hy-Y and Ex-Y is directly and indirectly enhanced by hydrogen ions, respectively. The desorption of Hy-Y is consistent with the dissolution behavior of the Y hydroxyl compound at lower pH. The desorption of Ex-Y is promoted by [Al(H<sub>2</sub>O)<sub>6</sub>]<sup>3+</sup> released from Hy-Al by hydrogen ions. Additionally, when the concentration of MgSO<sub>4</sub> is 100 mmol/L and initial pH is 2.00, the desorption rate of rare earths is 87.1%, while the adsorption rate of magnesium is 63.1% and the stoichiometry ratio of Y<sup>3+</sup> to Mg<sup>2+</sup> is 1.04, which indicates that adequate hydrogen ions reduce the consumption of MgSO<sub>4</sub> and enhance the leaching of rare earth. These finding provide valuable insights into optimizing the selective leaching of rare earths from IAREO.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"44 8","pages":"Pages 2459-2469"},"PeriodicalIF":9.6,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147895983","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 DFT analysis of physical properties of rare earth double perovskites Rb2Lu(Au/Cu)Cl6 for optoelectronic and thermoelectric applications 光电和热电用稀土双钙钛矿Rb2Lu(Au/Cu)Cl6物理性质的DFT分析
IF 9.6 1区 化学
Journal of Rare Earths Pub Date : 2026-07-01 Epub Date: 2025-09-11 DOI: 10.1016/j.jre.2025.09.011
Sahar Abdalla, Omar Zayed, Tariq M. Al-Daraghmeh, Muhammad Shahid, Adila Shabir, Laila S. Alqarni, Muhammad Sameeullah
{"title":"A DFT analysis of physical properties of rare earth double perovskites Rb2Lu(Au/Cu)Cl6 for optoelectronic and thermoelectric applications","authors":"Sahar Abdalla,&nbsp;Omar Zayed,&nbsp;Tariq M. Al-Daraghmeh,&nbsp;Muhammad Shahid,&nbsp;Adila Shabir,&nbsp;Laila S. Alqarni,&nbsp;Muhammad Sameeullah","doi":"10.1016/j.jre.2025.09.011","DOIUrl":"10.1016/j.jre.2025.09.011","url":null,"abstract":"<div><div>The modified Becke-Johnson (mBJ) potential was applied to investigate the structural, elastic, electronic, optical, and thermoelectric (TE) properties of the rare earth-based perovskites Rb<sub>2</sub>LuAuCl<sub>6</sub> and Rb<sub>2</sub>LuCuCl<sub>6</sub>. The stability was measured by various factors like tolerance (<em>τ</em><sub>G</sub>), octahedral (<em>μ</em>) factors, octahedral misfit (Δ<em>μ</em>), negative values of formation enthalpy. The compounds Rb<sub>2</sub>LuAuCl<sub>6</sub> and Rb<sub>2</sub>LuCuCl<sub>6</sub> exhibit nearly ideal stability for forming a cubic structure, with respective <em>τ</em><sub>G</sub> values of 0.97 and 0.99. The semiconducting character of both Rb<sub>2</sub>LuAuCl<sub>6</sub> and Rb<sub>2</sub>LuCuCl<sub>6</sub> is observed, with the former having the indirect bandgaps (<em>E</em><sub>g</sub>) of 1.74 and 2.14 eV. According to optical properties, the corresponding absorption peak values are 6.16 and 6.02 eV for Rb<sub>2</sub>LuAuCl<sub>6</sub> and Rb<sub>2</sub>LuCuCl<sub>6</sub>. The greatest absorption is observed in UV, indicating that both materials might be used in UV-based photovoltaics. Positive <em>S</em> values for TE characteristics indicate p-type semiconductors, while figure of merit (<em>ZT</em>) values greater than 0.7 indicate a higher possibility for their application in TE devices.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"44 7","pages":"Pages 2177-2185"},"PeriodicalIF":9.6,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148530096","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
AOBiX2 (A = La, Tb, Lu; X = S, Se): a family of 2D narrow bandgap semiconductors with high stability, broad-spectrum response, flexibility and high carrier mobility AOBiX2 (A = La, Tb, Lu; X = S, Se):一类具有高稳定性、广谱响应、柔性和高载流子迁移率的二维窄带隙半导体
IF 9.6 1区 化学
Journal of Rare Earths Pub Date : 2026-07-01 Epub Date: 2025-08-15 DOI: 10.1016/j.jre.2025.08.010
Kai Li, Yuqi Zhang, Min Zhang, Zhifeng Liu
{"title":"AOBiX2 (A = La, Tb, Lu; X = S, Se): a family of 2D narrow bandgap semiconductors with high stability, broad-spectrum response, flexibility and high carrier mobility","authors":"Kai Li,&nbsp;Yuqi Zhang,&nbsp;Min Zhang,&nbsp;Zhifeng Liu","doi":"10.1016/j.jre.2025.08.010","DOIUrl":"10.1016/j.jre.2025.08.010","url":null,"abstract":"<div><div>In recent years, two-dimensional (2D) materials have attracted significant attention in the field of photodetection due to their unique physical and chemical properties. However, the development of new 2D semiconductors with narrow bandgaps, high carrier mobility, and excellent optical absorption remains a substantial challenge. In this study, via first-principles calculations, a family of 2D semiconductors, AOBiX<sub>2</sub> (A = La, Tb, Lu; X = S, Se), is predicted to exhibit the desired properties. Specifically, the thermodynamic, dynamic, thermal, and mechanical stabilities of AOBiX<sub>2</sub> are assessed by analyzing their formation energies, phonon dispersion, <em>ab initio</em> molecular dynamics (AIMD) simulations, and elastic constants, respectively. Furthermore, the adsorption energy calculations demonstrate that AOBiX<sub>2</sub> retains stability in a humid/oxygen environment. Electronic structure analysis reveals that 2D AOBiX<sub>2</sub> has ideal narrow bandgaps (ranging from 0.52 to 0.80 eV) and high carrier mobility (up to 5137.94 cm<sup>2</sup>/(V·s) for LaOBiS<sub>2</sub>). The photoconductivity is also calculated to explain the optoelectronic response characteristics of these materials, further confirming their exceptional performance in optoelectronic devices. Optical properties show that these materials have an extremely broad absorption range, covering the near-infrared (NIR) to visible and ultraviolet (UV) regions, with the optical absorption rate exceeding 26%, indicating excellent optical absorption performance. Additionally, their elastic properties exhibit remarkable flexibility, making them ideal candidates for the design and fabrication of flexible optoelectronic devices. Given that the cleavage energies of AOBiX<sub>2</sub> are even lower than those of graphene, these materials are promising candidates for experimental fabrication and provide ideal platforms for designing new high-performance photodetectors.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"44 7","pages":"Pages 2195-2203"},"PeriodicalIF":9.6,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148530100","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
Achieving ultrawide zero thermal expansion and enhanced mechanical strength in boron-microalloyed Er2Fe17 ferrimagnet 硼微合金Er2Fe17铁磁体实现超宽零热膨胀并增强机械强度
IF 9.6 1区 化学
Journal of Rare Earths Pub Date : 2026-07-01 Epub Date: 2025-07-09 DOI: 10.1016/j.jre.2025.07.014
Bo Feng, Meifang Shi, Jun Liu, Zhida Han, Yujing Zhang, Feng Xu
{"title":"Achieving ultrawide zero thermal expansion and enhanced mechanical strength in boron-microalloyed Er2Fe17 ferrimagnet","authors":"Bo Feng,&nbsp;Meifang Shi,&nbsp;Jun Liu,&nbsp;Zhida Han,&nbsp;Yujing Zhang,&nbsp;Feng Xu","doi":"10.1016/j.jre.2025.07.014","DOIUrl":"10.1016/j.jre.2025.07.014","url":null,"abstract":"<div><div>Materials possessing zero thermal expansion (ZTE) can resist thermal shock, making them highly valuable in precision instruments. Here we propose to simultaneously achieve ultrawide ZTE and optimized mechanical properties in the negative thermal expansion (NTE) Er<sub>2</sub>Fe<sub>17</sub> ferrimagnet by boron microalloying. By introducing excess boron, the NTE 2:14:1 phase and the positive thermal expansion (PTE) α-Fe gradually precipitate in the 2:17 matrix. The NTE of the 2:14:1 and 2:17 phases over different temperature ranges and the PTE of the α-Fe phase are mutually compensated, resulting in a wide axial ZTE (<em>α</em><sub>l</sub> = −1.1 × 10<sup>−6</sup> K<sup>−1</sup>, 120–300 K; <em>α</em><sub>l</sub> = 2.2 × 10<sup>−6</sup> K<sup>−1</sup>, 300–520 K). Meanwhile, boron microalloying brings about finely-dispersed α-Fe and significantly reduces the grain size. Through grain refinement and precipitation, a high compressive stress of 1051 MPa is achieved, overcoming the intrinsic brittleness of the Er<sub>2</sub>Fe<sub>17</sub> compound. Our work provides a feasible method for designing high-performance NTE/ZTE materials.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"44 7","pages":"Pages 2140-2145"},"PeriodicalIF":9.6,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148530162","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
Support defect-mediated metal-support interactions in atomic layer deposition-prepared Pt/CeO2 catalysts for enhanced acetone oxidation 支持缺陷介导的金属-支持相互作用在原子层沉积制备的Pt/CeO2催化剂中用于增强丙酮氧化
IF 9.6 1区 化学
Journal of Rare Earths Pub Date : 2026-07-01 Epub Date: 2025-07-01 DOI: 10.1016/j.jre.2025.07.001
Ben Niu, Ziyi Shui, Zhenwen Yang, Xiaoxiao Duan, Weiqi An, Ganggang Li, Jie Cheng, Zhengping Hao
{"title":"Support defect-mediated metal-support interactions in atomic layer deposition-prepared Pt/CeO2 catalysts for enhanced acetone oxidation","authors":"Ben Niu,&nbsp;Ziyi Shui,&nbsp;Zhenwen Yang,&nbsp;Xiaoxiao Duan,&nbsp;Weiqi An,&nbsp;Ganggang Li,&nbsp;Jie Cheng,&nbsp;Zhengping Hao","doi":"10.1016/j.jre.2025.07.001","DOIUrl":"10.1016/j.jre.2025.07.001","url":null,"abstract":"<div><div>Optimizing metal-support interactions (MSI) can significantly enhance catalytic activity, as the characteristics of the support play a decisive role in governing these interactions. Herein, this study systematically investigated the properties and catalytic performance of Pt/CeO<sub>2</sub> catalysts prepared by atomic layer deposition (ALD) on three distinct supports: metal–organic framework (MOF)-derived CeO<sub>2</sub> (CeO<sub>2</sub>-M), ceria nanorods (CeO<sub>2</sub>-N), and ceria cubes (CeO<sub>2</sub>-C). Comprehensive characterization reveals that CeO<sub>2</sub>-M possesses the highest concentration of coordinatively unsaturated cerium (Ce) sites and surface oxygen vacancies, allowing for higher platinum (Pt) loading. Furthermore, the defect-rich structure of the support creates a unique coordination microenvironment for Pt species, which leads to optimized MSI as well as redox property. Therefore, Pt/CeO<sub>2</sub>-M catalyst achieves 99% acetone conversion at 200 °C with the lowest activation energy of 57.9 kJ/mol. <em>In situ</em> diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) studies demonstrate that Pt/CeO<sub>2</sub>-M follows a distinct reaction pathway during acetone oxidation due to its unique coordination structure. These findings establish MOF-derived CeO<sub>2</sub> as an ideal ALD support, where defect-mediated Pt anchoring can enhance both oxygen activation capacity and catalytic stability, providing new insights for the design of high-performance oxidation catalysts.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"44 7","pages":"Pages 2119-2128"},"PeriodicalIF":9.6,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148530163","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
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