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Band Gap Reduction in Lead Bismuth Niobate: Impact of Cerium Substitution in Aurivillius-type Structures on Photocatalytic Activity 铌酸铅铋带隙的还原:aurivillius型结构中铈取代对光催化活性的影响
IF 5.3 3区 材料科学
Materials Research Bulletin Pub Date : 2025-05-07 DOI: 10.1016/j.materresbull.2025.113541
Rachanon Klondon , Anurak Waehayee , Praphaiphon Phonsuksawang , Panupol Untarabut , Suttipong Wannapaiboon , Suwit Suthirakun , Chun-Hu Chen , Theeranun Siritanon
{"title":"Band Gap Reduction in Lead Bismuth Niobate: Impact of Cerium Substitution in Aurivillius-type Structures on Photocatalytic Activity","authors":"Rachanon Klondon ,&nbsp;Anurak Waehayee ,&nbsp;Praphaiphon Phonsuksawang ,&nbsp;Panupol Untarabut ,&nbsp;Suttipong Wannapaiboon ,&nbsp;Suwit Suthirakun ,&nbsp;Chun-Hu Chen ,&nbsp;Theeranun Siritanon","doi":"10.1016/j.materresbull.2025.113541","DOIUrl":"10.1016/j.materresbull.2025.113541","url":null,"abstract":"<div><div>Developing efficient photocatalysts for environmental remediation remains a critical challenge, especially for degrading toxic organic pollutants. Aurivillius oxides are promising candidates due to their layered structures and chemical tunability. However, strategies to optimize their photocatalytic activity require further exploration. Here, we demonstrate that aliovalent Ce substitution in PbBi<sub>2</sub>Nb<sub>2</sub>O<sub>9</sub> (PBNO) significantly enhances its photocatalytic performance. The optimized 20 mol% Ce composition shows a 2.6-fold increase in methylene blue degradation efficiency compared to pristine PBNO. Experimental characterizations and first-principles calculations reveal that Ce incorporation induces coupled cation substitution—Ce replaces Pb, and the displaced Pb partially occupies Bi sites. This redistribution modifies the electronic structure by reducing the band gap, introducing Ce<sup>3+</sup>/Ce<sup>4+</sup> redox centers, and improving charge separation. Free radical quenching experiments and band alignment analysis further elucidate the degradation mechanism. This study provides insights into cation substitution in Aurivillius oxides and highlights a promising strategy for designing photocatalysts for water purification.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"191 ","pages":"Article 113541"},"PeriodicalIF":5.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143937098","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A near-infrared phosphor MgGaBO4:Cr3+ promisingly for photomedicine application 一种具有光医学应用前景的近红外荧光粉mggabo4cr3 +
IF 5.3 3区 材料科学
Materials Research Bulletin Pub Date : 2025-05-06 DOI: 10.1016/j.materresbull.2025.113540
Shuanghong Wei , Yan’Guang Guo , Zhanchuang Lu , Aoyun Li , Bo Wang , Zhi Zhao , Lei Chen
{"title":"A near-infrared phosphor MgGaBO4:Cr3+ promisingly for photomedicine application","authors":"Shuanghong Wei ,&nbsp;Yan’Guang Guo ,&nbsp;Zhanchuang Lu ,&nbsp;Aoyun Li ,&nbsp;Bo Wang ,&nbsp;Zhi Zhao ,&nbsp;Lei Chen","doi":"10.1016/j.materresbull.2025.113540","DOIUrl":"10.1016/j.materresbull.2025.113540","url":null,"abstract":"<div><div>A near-infrared (NIR) phosphor MgGaBO<sub>4</sub>:Cr<sup>3+</sup> phosphor with three peaks at about 688, 696, and 711 nm of a continuous emission band was reported. The three emission peaks were attributed to the two centers of Cr<sup>3+</sup>, which take the sites of Ga<sup>3+</sup> and Mg<sup>2+</sup>, respectively, in crystal lattice, as identified with the parity-forbidden <sup>2</sup>E→<sup>4</sup>A<sub>2</sub> transition at low temperature in assistance with XRD Rietveld refinement. The multiple overlap of parity-allowed <sup>4</sup>T<sub>2</sub>→<sup>4</sup>A<sub>2</sub> transition and parity-forbidden <sup>2</sup>E→<sup>4</sup>A<sub>2</sub> transition of each Cr<sup>3+</sup> center forms a broadband emission spectrum. Despite of low luminous efficiency, the phosphor shows well thermal stability of luminescence, whose intensity at 100 °C keeps 92 % of that at 20 °C. An LED device was packaged using the optimal MgGaBO<sub>4</sub>:Cr<sup>3+</sup> phosphor, whose emission spectrum covers the absorption band of cytochrome c oxidase peaked at 760 nm and 820 nm well, to show its potential for photomedicine application.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"191 ","pages":"Article 113540"},"PeriodicalIF":5.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143942561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Next-generation silver-doped cobalt MOF (Ag@Co-MOF-n): Transforming sensing, environmental cleanup, and energy storage 下一代银掺杂钴MOF (Ag@Co-MOF-n):改变传感、环境清理和能量储存
IF 5.3 3区 材料科学
Materials Research Bulletin Pub Date : 2025-05-06 DOI: 10.1016/j.materresbull.2025.113539
Vibhav Shukla , Astakala Anil Kumar , Nazrul Haq , Kafeel Ahmad Siddiqui
{"title":"Next-generation silver-doped cobalt MOF (Ag@Co-MOF-n): Transforming sensing, environmental cleanup, and energy storage","authors":"Vibhav Shukla ,&nbsp;Astakala Anil Kumar ,&nbsp;Nazrul Haq ,&nbsp;Kafeel Ahmad Siddiqui","doi":"10.1016/j.materresbull.2025.113539","DOIUrl":"10.1016/j.materresbull.2025.113539","url":null,"abstract":"<div><div>A cobalt-based metal-organic framework, [Co(Cei)]<sub>n</sub> (Co-MOF), and its silver-doped derivatives (Ag@Co-MOF-n, where <em>n</em> = 1–3) were synthesized and systematically characterized using XPS, PXRD, SEM, elemental mapping, and FT-IR techniques. Among the derivatives, Ag@Co-MOF-2 exhibited superior photoluminescent sensing capabilities for the herbicides chlorimuron ethyl (CLOV) and glyphosate (GYP), with LOD values of 0.580 ppm and 0.067 ppm, respectively. Under visible light, the photocatalytic degradation efficiency of Ag@Co-MOF-2 for GYP reached 88.07%, significantly outperforming the pristine Co-MOF (37.38%). Furthermore, in supercapacitor applications, Ag@Co-MOF-2 demonstrated an enhanced specific capacitance of 582.0 F g⁻¹ with 74.62% retention after 10,000 cycles, compared to 294 F g⁻¹ and 69.98% retention for Co-MOF. These findings underscore the multifunctional enhancements imparted by silver doping, establishing Ag@Co-MOF-2 material as a promising material for energy storage, advanced sensing, and environmental remediation applications.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"191 ","pages":"Article 113539"},"PeriodicalIF":5.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143931700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Flexible, hydrophobic MoS2 nanosheets decorated carbon cloth composites for efficient electromagnetic interference shielding 柔性、疏水性二硫化钼纳米片装饰碳布复合材料,用于高效电磁干扰屏蔽
IF 5.3 3区 材料科学
Materials Research Bulletin Pub Date : 2025-05-05 DOI: 10.1016/j.materresbull.2025.113533
Chengzhi Zu , Huawei Rong , Rongzhi Zhao , Yang Liu , Jian Zhang , Xuefeng Zhang
{"title":"Flexible, hydrophobic MoS2 nanosheets decorated carbon cloth composites for efficient electromagnetic interference shielding","authors":"Chengzhi Zu ,&nbsp;Huawei Rong ,&nbsp;Rongzhi Zhao ,&nbsp;Yang Liu ,&nbsp;Jian Zhang ,&nbsp;Xuefeng Zhang","doi":"10.1016/j.materresbull.2025.113533","DOIUrl":"10.1016/j.materresbull.2025.113533","url":null,"abstract":"<div><div>Biomass-derived carbon is one of the ideal materials for electromagnetic interference (EMI) shielding due to its sustainable and unique three-dimensional structure. In this paper, flexible and hydrophobic Carbon cloth/MoS<sub>2</sub> nanosheets composite is synthesized by a one-step hydrothermal method. The crossed carbon fibers build a conductive network to provide electron migration and transmission path. The unique artificial periodic structure of carbon cloth combined with MoS<sub>2</sub> can produce negative permittivity behavior, which leads to stronger impedance mismatch. Meanwhile, multiple interfaces, defects and polarization effect built by MoS<sub>2</sub> nanosheet can improve electromagnetic wave loss. The relationship between negative permittivity and electromagnetic shielding properties is further explored. Effective electromagnetic shielding of these composites can reach &gt;20 dB in J (5.85∼8.2 GHz), X (8.2∼12.4 GHz) and P (12.4∼18 GHz) bands. The maximum SE value of 25.1 dB can be obtained at 8.2 GHz in CM-180 sample, which can meet the shielding requirements of daily electronic devices. Particularly, the composites are flexible and hydrophobic, providing the possibility of applications in wearable field.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"190 ","pages":"Article 113533"},"PeriodicalIF":5.3,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143905849","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biopolymer based nanocomposite (Fe3O4/GONR/SA) for targeted fluoride removal: Facile synthesis, adsorption mechanism and regeneration potential 生物聚合物基纳米复合材料(Fe3O4/GONR/SA)的定向除氟:快速合成、吸附机理和再生潜力
IF 5.3 3区 材料科学
Materials Research Bulletin Pub Date : 2025-05-04 DOI: 10.1016/j.materresbull.2025.113538
Vijay Laxmi , Sindhuja Singh , Swati Agarwal , Poonam Bhardwaj , Manjul Gautam , Suphiya Khan
{"title":"Biopolymer based nanocomposite (Fe3O4/GONR/SA) for targeted fluoride removal: Facile synthesis, adsorption mechanism and regeneration potential","authors":"Vijay Laxmi ,&nbsp;Sindhuja Singh ,&nbsp;Swati Agarwal ,&nbsp;Poonam Bhardwaj ,&nbsp;Manjul Gautam ,&nbsp;Suphiya Khan","doi":"10.1016/j.materresbull.2025.113538","DOIUrl":"10.1016/j.materresbull.2025.113538","url":null,"abstract":"<div><div>Excessive fluoride in water poses potential health risks. This study developed a Fe<sub>3</sub>O<sub>4</sub>/GONR/SA nanocomposite hydrogel to address fluorosis challenges. Herein, we used the free radical polymerization method to synthesize a novel nanocomposite hydrogel, namely as Fe<sub>3</sub>O<sub>4</sub>/GONR/SA nanocomposite hydrogel. Nanocomposite hydrogel was characterized using SEM, XRD, FTIR, and EDX analysis to examine its morphology, crystalline structure, and elemental composition, respectively. Defluoridation properties were evaluated under varying pH, contact time, and fluoride concentration conditions. The results suggested that Fe<sub>3</sub>O<sub>4</sub>/GONR/SA nanocomposite hydrogel had a fast capture rate for fluoride. The nanocomposite hydrogel demonstrated an impressive maximum defluoridation capacity (Q<sub>o</sub>) of 90.0 mg <em>g</em><sup>−1</sup> within 12 min at pH 6, which surpasses conventional adsorbents and shows superiority. Isotherm and kinetic data analyses revealed that the Langmuir adsorption isotherm and pseudo-second-order (PSO) models best described chemisorption and the rate of the fluoride adsorption process. The primary defluoridation mechanism was identified as chemisorption involving both electrostatic interactions and ion exchange, where protonated hydroxyl and carboxyl groups attract fluoride ions, and ion exchange, wherein fluoride ions replace surface-bound hydroxyl groups. Additional renewal and field investigations assessed the nanocomposite’s regeneration ability and practical applicability.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"190 ","pages":"Article 113538"},"PeriodicalIF":5.3,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143929244","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Mn doping on the synthesis and properties of nearly spherical Sm2Fe17N3 powders Mn掺杂对近球形Sm2Fe17N3粉末合成及性能的影响
IF 5.3 3区 材料科学
Materials Research Bulletin Pub Date : 2025-05-02 DOI: 10.1016/j.materresbull.2025.113530
Pengfei Yue , Jingwu Zheng , Shuqi Zong , Wei Cai , Haibo Chen , Liang Qiao , Min Lin , Yao Ying , Jing Yu , Juan Li , Wangchang Li , Shenglei Che
{"title":"Effect of Mn doping on the synthesis and properties of nearly spherical Sm2Fe17N3 powders","authors":"Pengfei Yue ,&nbsp;Jingwu Zheng ,&nbsp;Shuqi Zong ,&nbsp;Wei Cai ,&nbsp;Haibo Chen ,&nbsp;Liang Qiao ,&nbsp;Min Lin ,&nbsp;Yao Ying ,&nbsp;Jing Yu ,&nbsp;Juan Li ,&nbsp;Wangchang Li ,&nbsp;Shenglei Che","doi":"10.1016/j.materresbull.2025.113530","DOIUrl":"10.1016/j.materresbull.2025.113530","url":null,"abstract":"<div><div>To achieve smaller particle sizes of Sm₂Fe₁₇N₃ magnetic powders, crushing is often applied to the obtained powders. However, this process introduces more angular edges and increases the risk of oxidation. In this study, nearly spherical Sm₂(Fe,Mn)₁₇N₃ magnetic powders with controllable particle sizes and strong oxidation resistance were prepared eliminating the need for crushing, using a combined ultrasonic spray pyrolysis-reduction diffusion method. The results show that appropriate Mn doping facilitates particle size refinement. Mn doping of Fe increased lattice expansion without altering crystal structure. The optimal coercivity occurred at a 5 at.% Mn doping. Furthermore, as the Mn doping level increased, the proportion of adsorbed oxygen decreased, slowing the occurrence of further oxidation reactions and impeding the transformation of metallic elements into higher-valence oxides, thereby enhancing oxidation resistance. The addition of Mn improved the thermal stability and magnetic properties of Sm<sub>2</sub>Fe<sub>17</sub>N<sub>3</sub> magnets, offering a promising method for producing high-performance permanent magnets.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"190 ","pages":"Article 113530"},"PeriodicalIF":5.3,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143918466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Intense green emitting Ho3+/Yb3+ Co-doped Sr2LaF7 upconversion nanocrystals for latent fingerprint detection 强绿色发光Ho3+/Yb3+共掺杂Sr2LaF7上转换纳米晶体用于潜在指纹检测
IF 5.3 3区 材料科学
Materials Research Bulletin Pub Date : 2025-05-01 DOI: 10.1016/j.materresbull.2025.113536
Kapil S. Janbandhu , V.B. Pawade , J.B. Modak
{"title":"Intense green emitting Ho3+/Yb3+ Co-doped Sr2LaF7 upconversion nanocrystals for latent fingerprint detection","authors":"Kapil S. Janbandhu ,&nbsp;V.B. Pawade ,&nbsp;J.B. Modak","doi":"10.1016/j.materresbull.2025.113536","DOIUrl":"10.1016/j.materresbull.2025.113536","url":null,"abstract":"<div><div>Green upconversion phosphor has emerged as a promising tool for non-invasive, high-contrast latent fingerprint detection, owing to its strong green emission, which is highly sensitive and easily visible to the human eye. This work reported the Series of Ho<sup>3+</sup> /Yb<sup>3+</sup> co-doped Sr<sub>2</sub>LaF<sub>7</sub> UC nanocrystals were synthesized by the co-precipitation method using Na<sub>2</sub>-EDTA. Crystalline phase, crystallite and particle size, FTIR, UV–visible spectroscopy, upconversion emission properties were successfully investigated. Further studied the effect of high temperature annealing on crystal size and UC properties of the synthesized phosphor. The upconversion properties of Sr<sub>2</sub>LaF<sub>7</sub> : Ho<sup>3+</sup> /Yb<sup>3+</sup>studied under 980 nm near infra-red (NIR) excitation, which exhibits the intense green emission at 542 nm due to (<sup>5</sup>F<sub>4</sub>/<sup>5</sup>S<sub>2</sub>) → <sup>5</sup>I<sub>8</sub> transition of Ho<sup>3+</sup> ions. UC study shows successful energy transfer from Yb<sup>3+</sup> to Ho<sup>3+</sup>. Based on the observed emission, the upconversion process and corresponding energy transfer mechanism between Ho<sup>3+</sup> and Yb<sup>3+</sup> ions were also discussed. CIE reveals the color coordinates located in green region with high color purity. Hence, Sr<sub>2</sub>LaF<sub>7</sub>: Ho<sup>3+</sup> /Yb<sup>3+</sup> intense green UC nanocrystals find potential scope in latent fingerprint detection.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"190 ","pages":"Article 113536"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143924636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
New insights into crystallographic relation and lattice dynamics effects in {CdO/MgO} superlattices grown by plasma-assisted molecular beam epitaxy 等离子体辅助分子束外延生长的{CdO/MgO}超晶格的晶体学关系和晶格动力学效应的新见解
IF 5.3 3区 材料科学
Materials Research Bulletin Pub Date : 2025-04-30 DOI: 10.1016/j.materresbull.2025.113535
A. Wierzbicka , E. Przezdziecka , I. Perlikowski , E. Zielony , A. Adhikari , A. Lysak
{"title":"New insights into crystallographic relation and lattice dynamics effects in {CdO/MgO} superlattices grown by plasma-assisted molecular beam epitaxy","authors":"A. Wierzbicka ,&nbsp;E. Przezdziecka ,&nbsp;I. Perlikowski ,&nbsp;E. Zielony ,&nbsp;A. Adhikari ,&nbsp;A. Lysak","doi":"10.1016/j.materresbull.2025.113535","DOIUrl":"10.1016/j.materresbull.2025.113535","url":null,"abstract":"<div><div>This article explores the structural properties of molecular beam epitaxy grown {CdO/MgO} superlattices on sapphire substrates of different crystallographic orientations (<em>a</em>-, <em>c</em>-, <em>r</em>-, and <em>m</em>-plane). The study involves a comprehensive analysis using X-ray diffraction and Raman spectroscopy. High-resolution X-ray diffraction unveils a significant influence of surface symmetry on both the substrates and the epitaxial layers, particularly with respect to the occurrence of twins in the superlattices. Remarkably, no twins were observed on <em>r</em>-oriented sapphire substrates, resulting in improved interface and crystallographic quality. The results of the studies demonstrated in this work show that the growth rate of CdO sublayers within {CdO/MgO} superlattices is intricately dependent on the substrate orientation. Notably, the <em>c</em>-plane and <em>m</em>-plane sapphire substrates yielded thicker CdO sublayers, indicating comparable growth rates for these crystallographic orientations. The <em>a</em>-plane and <em>r</em>-plane orientations, on the contrary, seemed to favor a slower growth rate of CdO sublayers.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"190 ","pages":"Article 113535"},"PeriodicalIF":5.3,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904584","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In situ Raman and electric modulus study of NBT-ST-KNN ceramics: An insight into temperature evolution of relaxor dynamics NBT-ST-KNN陶瓷的原位拉曼和电模量研究:弛豫动力学的温度演化
IF 5.3 3区 材料科学
Materials Research Bulletin Pub Date : 2025-04-30 DOI: 10.1016/j.materresbull.2025.113534
Arpita Singha , Swetapadma Praharaj , Dibyaranjan Rout
{"title":"In situ Raman and electric modulus study of NBT-ST-KNN ceramics: An insight into temperature evolution of relaxor dynamics","authors":"Arpita Singha ,&nbsp;Swetapadma Praharaj ,&nbsp;Dibyaranjan Rout","doi":"10.1016/j.materresbull.2025.113534","DOIUrl":"10.1016/j.materresbull.2025.113534","url":null,"abstract":"<div><div>Polar nanoregions (PNRs) are often argued to be the key factor in enhancing the functional properties of relaxor-based ferroelectrics. The creation and relaxation of these polar entities are believed to be strongly temperature-dependent, but the explanation is still unclear. In this investigation we have chosen a well-established relaxor system (0.8-<em>x</em>)(Na<sub>0.5</sub>Bi<sub>0.5</sub>)TiO<sub>3</sub>-0.2SrTiO<sub>3</sub>-<em>x</em>(K<sub>0.5</sub>Na<sub>0.5</sub>)NbO<sub>3</sub>; (<em>x =</em> 0.005, 0.01, 0.04 and 0.1) to probe into the thermal dynamics of PNRs using <em>in-situ</em> Raman and electric modulus formalism. The Raman spectra segregate into different temperature zones corresponding to ferroelectric-relaxor transition (T<sub>F-R</sub>), maximum dielectric constant (T<sub>m</sub>) and Burn’s temperature (T<sub>B</sub>). A closer introspection of width and position of peak peaks around these temperatures depicts the existence of local structural heterogeneities. Further, the frequency-dependent electric modulus, <em>M\"(f)</em> <span><math><mspace></mspace></math></span>study demarcates high-frequency shoulder (related to PNR relaxation) from intermediate frequency peak corresponding to bulk response. Analysis of <em>Z\"(f)</em> and <em>M\"(f)</em> predict temperature evolution of long-range ordered regions to localized relaxations.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"190 ","pages":"Article 113534"},"PeriodicalIF":5.3,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143924935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Study on the energy storage mechanism of MnO2 pseudocapacitance-enhanced Zn-Co oxide anode MnO2伪电容增强Zn-Co氧化阳极储能机理研究
IF 5.3 3区 材料科学
Materials Research Bulletin Pub Date : 2025-04-30 DOI: 10.1016/j.materresbull.2025.113510
Guoxu Zheng , Haibin Wu , Xinzhe Huang , Minqiang Xu , Liwei Mao , Qian Zhang , Zhuo Yuan , Zhiwei Liu , Hongwei Wu , Fujun He , Mingxin Song
{"title":"Study on the energy storage mechanism of MnO2 pseudocapacitance-enhanced Zn-Co oxide anode","authors":"Guoxu Zheng ,&nbsp;Haibin Wu ,&nbsp;Xinzhe Huang ,&nbsp;Minqiang Xu ,&nbsp;Liwei Mao ,&nbsp;Qian Zhang ,&nbsp;Zhuo Yuan ,&nbsp;Zhiwei Liu ,&nbsp;Hongwei Wu ,&nbsp;Fujun He ,&nbsp;Mingxin Song","doi":"10.1016/j.materresbull.2025.113510","DOIUrl":"10.1016/j.materresbull.2025.113510","url":null,"abstract":"<div><div>In this paper, flower-like ZnCo<sub>2</sub>O<sub>4</sub>/MnO<sub>2</sub> heterojunctions were grown on NF using a simple secondary hydrothermal method. ZnCo<sub>2</sub>O<sub>4</sub>/MnO<sub>2</sub>/NF exhibited good performance when used as anode for LIBs, which had an initial discharge capacity of up to 1,586.9 mAh g<sup>-1</sup>, and even maintained a discharge capacity of 980 mAh g<sup>-1</sup> after 200 charge/discharge cycles. The band gaps were determined using the GGA-PBE exchange associative functions within the density functional theory (DFT) framework, the calculated results show that the band gap of the ZnCo<sub>2</sub>O<sub>4</sub>/MnO<sub>2</sub> composite is reduced to 0.607 eV. The preparation of ZnCo<sub>2</sub>O<sub>4</sub>/MnO<sub>2</sub>/NF helped to effectively overcome the drawbacks of Zn-Co oxide anode, and improved performance achieved by heterogeneous structure was quantified by DFT calculations.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"190 ","pages":"Article 113510"},"PeriodicalIF":5.3,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143907683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","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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