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Hectoborides: Crystal structure of NdB65 and ThB60
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-01-10 DOI: 10.1016/j.solidstatesciences.2025.107826
Gerda Rogl , Vilma Bursikova , Jiri Bursik , Gerald Giester , Henri Noel , Peter Rogl
The crystal structures of the "hectoborides" NdB65 and ThB60 have been elucidated from single crystal X-ray structure determination supported by TEM-SAED analyses. Both compounds crystallize in a face-centred cubic lattice with space group Fm3c (No. 226) (aNdB65 = 2.35385(4) nm, RF = 0.0491; aThB60 = 2.35170(5) nm, RF = 0.0489) isotypic with the aristo-type of hectoborides, namely YB66. With respect to the structure type of YB66 in its original version by Richards and Kaspar [2], we observe for both compounds, NdB65 and ThB60, a split position (total occupancies ˜0.5) for the metal atoms in site 48f as well as a second metal atom position in site 8a at a reduced occupancy; furthermore, we only arrive at seven B-sites 192j and 5 B-sites 96i, but did not find a B-atom (B13) in site 64g (x = 0.23, x, x). In contrast to the earlier structure determination of ThB66(O) [11] our WDX analysis did not present any hints for oxygen contamination, therefore site 8a (¼,¼,¼) hosts a Th atom at low occupancy of 0.12(1) Th instead. Similarly, the 8a site is also partially occupied by 0.04(1) Nd in NdB65. Whereas the present investigation removes all doubts on the formation of NdB65 (YB66-type), our analysis did not reveal the formation of isotypic "PrB˜66". On the basis of our SEM data, revised phase relations for the three systems Nd-B, Pr-B and Th-B have been designed for the boron-rich part (>85 at.% B).
Whereas at room temperature hardness of ThB60 (23.8 GPa) and for NdB65 (24.3 GPa) fit well among hardness data for the corresponding rare earths hectoborides, the by-product material ThB99 (βB-type) with 42 GPa is a superhard material.
{"title":"Hectoborides: Crystal structure of NdB65 and ThB60","authors":"Gerda Rogl ,&nbsp;Vilma Bursikova ,&nbsp;Jiri Bursik ,&nbsp;Gerald Giester ,&nbsp;Henri Noel ,&nbsp;Peter Rogl","doi":"10.1016/j.solidstatesciences.2025.107826","DOIUrl":"10.1016/j.solidstatesciences.2025.107826","url":null,"abstract":"<div><div>The crystal structures of the \"hectoborides\" NdB<sub>65</sub> and ThB<sub>60</sub> have been elucidated from single crystal X-ray structure determination supported by TEM-SAED analyses. Both compounds crystallize in a face-centred cubic lattice with space group <em>Fm</em><span><math><mrow><mover><mn>3</mn><mo>‾</mo></mover></mrow></math></span><em>c</em> (No. 226) (<em>a</em><sub>NdB65</sub> = 2.35385(4) nm, R<sub>F</sub> = 0.0491; <em>a</em><sub>ThB60</sub> = 2.35170(5) nm, R<sub>F</sub> = 0.0489) isotypic with the aristo-type of hectoborides, namely YB<sub>66</sub>. With respect to the structure type of YB<sub>66</sub> in its original version by Richards and Kaspar [2], we observe for both compounds, NdB<sub>65</sub> and ThB<sub>60</sub>, a split position (total occupancies ˜0.5) for the metal atoms in site 48<em>f</em> as well as a second metal atom position in site 8<em>a</em> at a reduced occupancy; furthermore, we only arrive at seven B-sites 192<em>j</em> and 5 B-sites 96<em>i</em>, but did not find a B-atom (B13) in site 64<em>g</em> (x = 0.23, x, x). In contrast to the earlier structure determination of ThB<sub>66</sub>(O) [11] our WDX analysis did not present any hints for oxygen contamination, therefore site 8<em>a</em> (¼,¼,¼) hosts a Th atom at low occupancy of 0.12(1) Th instead. Similarly, the 8<em>a</em> site is also partially occupied by 0.04(1) Nd in NdB<sub>65</sub>. Whereas the present investigation removes all doubts on the formation of NdB<sub>65</sub> (YB<sub>66</sub>-type), our analysis did not reveal the formation of isotypic \"PrB<sub>˜66</sub>\". On the basis of our SEM data, revised phase relations for the three systems Nd-B, Pr-B and Th-B have been designed for the boron-rich part (&gt;85 at.% B).</div><div>Whereas at room temperature hardness of ThB<sub>60</sub> (23.8 GPa) and for NdB<sub>65</sub> (24.3 GPa) fit well among hardness data for the corresponding rare earths hectoborides, the by-product material ThB<sub>99</sub> (βB-type) with 42 GPa is a superhard material.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"162 ","pages":"Article 107826"},"PeriodicalIF":3.4,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143445394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Self-assembly of polyoxometalate-based metal-organic framework with trefoil sign structural feature as efficient anode for lithium ion batteries
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-01-01 DOI: 10.1016/j.solidstatesciences.2024.107774
Lizhou Wu , Guanghui Yuan , Fangxiong Gao , Xin Qiang , Junfeng Hui , Bin Liu
To extend the practical applications of polyoxometalates (POMs) based metal–organic frameworks (POMOFs) in the most cut-ting-edge (lithium ion batteries) LIBs, a new crystalline POMOFs, [Ag6(H2trz)6]·[H4SiW12O40]·6H2O (SiW12-Ag-trz), was successfully synthesized and well characterized in the work. Crystal analysis reveals that Keggin-typed POMs [H4SiW12O40] (SiW12) are inserted into the Ag-trz helical chain to construct 3D POMOFs with open pore channels with trefoil sign structural feature, in which SiW12 polyoxoanion exhibiting the most diverse coordination modes in the reported crystalline POMOFs, to the best our knowledge. Because the pore channels facilitate the storage and release of lithium ions, and the SiW12 polyoxoanion growing on the framework serves as an excellent electron sponge, crystalline SiW12-Ag-trz as an anode material for lithium-ion batteries (LIBs) exhibits highly reversible capacity and rate capability. Moreover, to illustrate the lithium storage, the impedance spectra and cyclic voltammetry (CV) with different scan rates during the first and 50th charge process were studied in details.
{"title":"Self-assembly of polyoxometalate-based metal-organic framework with trefoil sign structural feature as efficient anode for lithium ion batteries","authors":"Lizhou Wu ,&nbsp;Guanghui Yuan ,&nbsp;Fangxiong Gao ,&nbsp;Xin Qiang ,&nbsp;Junfeng Hui ,&nbsp;Bin Liu","doi":"10.1016/j.solidstatesciences.2024.107774","DOIUrl":"10.1016/j.solidstatesciences.2024.107774","url":null,"abstract":"<div><div>To extend the practical applications of polyoxometalates (POMs) based metal–organic frameworks (POMOFs) in the most cut-ting-edge (lithium ion batteries) LIBs, a new crystalline POMOFs, [Ag<sub>6</sub>(H<sub>2</sub>trz)<sub>6</sub>]·[H<sub>4</sub>SiW<sub>12</sub>O<sub>40</sub>]·6H<sub>2</sub>O (SiW<sub>12</sub>-Ag-trz), was successfully synthesized and well characterized in the work. Crystal analysis reveals that Keggin-typed POMs [H<sub>4</sub>SiW<sub>12</sub>O<sub>40</sub>] (SiW<sub>12</sub>) are inserted into the Ag-trz helical chain to construct 3D POMOFs with open pore channels with trefoil sign structural feature, in which SiW<sub>12</sub> polyoxoanion exhibiting the most diverse coordination modes in the reported crystalline POMOFs, to the best our knowledge. Because the pore channels facilitate the storage and release of lithium ions, and the SiW<sub>12</sub> polyoxoanion growing on the framework serves as an excellent electron sponge, crystalline SiW<sub>12</sub>-Ag-trz as an anode material for lithium-ion batteries (LIBs) exhibits highly reversible capacity and rate capability. Moreover, to illustrate the lithium storage, the impedance spectra and cyclic voltammetry (CV) with different scan rates during the first and 50th charge process were studied in details.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"159 ","pages":"Article 107774"},"PeriodicalIF":3.4,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Enhanced thermoelectric properties in Bi2Sr2-xBaxCo2Oy via doping and texturing for integration in more efficient thermoelectric generators
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-01-01 DOI: 10.1016/j.solidstatesciences.2024.107772
Pınar Özkurt , M.A. Madre , Berdan Özkurt , M.A. Torres , A. Sotelo
Bi2Sr2-xBaxCo2Oy (0 ≤ x ≤ 0.15) thermoelectric samples have been sintered, and textured through the laser floating zone process using a Nd:YAG laser. Powder XRD studies showed that the thermoelectric phase is the major one in all cases, with higher amount of secondary phases in the textured ones due to their incongruent melting. Microstructural characterization revealed a drastic microstructural modification in the textured samples, when compared to the sintered ones, producing much larger and well oriented grains along the growth direction. These characteristics led to lower electrical resistivity in textured samples, reaching the minimum at 650 °C (14.8 mΩ cm) in 0.125Ba-doped samples, which is lower than those typically reported in this system. On the other hand, no significant variation in Seebeck coefficient has been found between the samples. This behaviour is associated to the isovalent doping which does not modify the charge carrier concentration in the material, and the highest values at 650 °C (166 μV/K) are in the order of the reported in the literature. As a consequence, power factor values are mainly driven by the electrical resistivity values, leading to the highest values at 650 °C in 0.125Ba-doped textured samples (0.19 mW/K2m) due to their lowest resistivity. These values are higher than the reported for textured materials and in the order of the best reported for this compound in bulk form. All these properties, together with the possibility of the direct integration of these compounds in thermoelectric modules, make them very attractive for practical applications ensuring access to affordable, reliable, and sustainable energy for all.
{"title":"Enhanced thermoelectric properties in Bi2Sr2-xBaxCo2Oy via doping and texturing for integration in more efficient thermoelectric generators","authors":"Pınar Özkurt ,&nbsp;M.A. Madre ,&nbsp;Berdan Özkurt ,&nbsp;M.A. Torres ,&nbsp;A. Sotelo","doi":"10.1016/j.solidstatesciences.2024.107772","DOIUrl":"10.1016/j.solidstatesciences.2024.107772","url":null,"abstract":"<div><div>Bi<sub>2</sub>Sr<sub>2-x</sub>Ba<sub>x</sub>Co<sub>2</sub>O<sub>y</sub> (0 ≤ x ≤ 0.15) thermoelectric samples have been sintered, and textured through the laser floating zone process using a Nd:YAG laser. Powder XRD studies showed that the thermoelectric phase is the major one in all cases, with higher amount of secondary phases in the textured ones due to their incongruent melting. Microstructural characterization revealed a drastic microstructural modification in the textured samples, when compared to the sintered ones, producing much larger and well oriented grains along the growth direction. These characteristics led to lower electrical resistivity in textured samples, reaching the minimum at 650 °C (14.8 mΩ cm) in 0.125Ba-doped samples, which is lower than those typically reported in this system. On the other hand, no significant variation in Seebeck coefficient has been found between the samples. This behaviour is associated to the isovalent doping which does not modify the charge carrier concentration in the material, and the highest values at 650 °C (166 μV/K) are in the order of the reported in the literature. As a consequence, power factor values are mainly driven by the electrical resistivity values, leading to the highest values at 650 °C in 0.125Ba-doped textured samples (0.19 mW/K<sup>2</sup>m) due to their lowest resistivity. These values are higher than the reported for textured materials and in the order of the best reported for this compound in bulk form. All these properties, together with the possibility of the direct integration of these compounds in thermoelectric modules, make them very attractive for practical applications ensuring access to affordable, reliable, and sustainable energy for all.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"159 ","pages":"Article 107772"},"PeriodicalIF":3.4,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147207","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Efficient photocatalytic elimination of antibiotics over metal-free CNx/PANI/graphene sponge system 无金属CNx/聚苯胺/石墨烯海绵系统的高效光催化消除抗生素
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-11-29 DOI: 10.1016/j.solidstatesciences.2024.107781
Beibei Zhu , Jie Zhou , Lubin Ni , Guowang Diao
Purification of antibiotic wastewater has been recognized as one of the most important issues in the environmental community, for which, developing the metal-free photocatalyst system is an environment-friendly and economic-feasible way. Herein, we designed the metal-free C3Nx/PANI photocatalyst wrapped around the graphene sponge (CPG) for coupled antibiotic wastewater adsorption and purification. The properties of CPG and their relation with purification performance were investigated using various characterization techniques and photocatalysis evaluation. As a result, we found that the advanced porous structure of graphene sponge can favor wastewater adsorption and photon utilization efficiency due to the crosslink channels with a higher crosslinking density. Meanwhile, the layered structure of CNx effectively facilitates the transfer of charge carriers while the PANI exhibits high-capacity visible light adsorption. Consequently, after optimization, CPG8 exhibited better photocatalytic activity with a sulfamethazine degradability of 10 mg/L within 40 min. The novel approach and new insights obtained in this work give important guidance for designing advanced photocatalytic systems used in wastewater purification.
抗生素废水的净化已成为环保界公认的重要问题之一,开发无金属光催化剂体系是一种既环保又经济可行的方法。本文设计了一种包裹在石墨烯海绵(CPG)表面的无金属C3Nx/PANI光催化剂,用于抗生素废水的耦合吸附和净化。利用各种表征技术和光催化评价研究了CPG的性质及其与净化性能的关系。因此,我们发现石墨烯海绵的先进多孔结构由于具有更高交联密度的交联通道,有利于废水吸附和光子利用效率。同时,CNx的层状结构有效地促进了载流子的转移,而PANI则表现出高容量的可见光吸附。因此,优化后的CPG8表现出更好的光催化活性,在40 min内磺胺乙胺的降解率为10 mg/L。本研究获得的新方法和新见解为设计用于废水净化的先进光催化系统提供了重要指导。
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引用次数: 0
Additives in silver paste improve the mechanical and thermal stability of thermoelectric modules composed of n-type half-Heusler and p-type oxide materials 银浆中的添加剂提高了n型半heusler和p型氧化物材料组成的热电模块的机械稳定性和热稳定性
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-11-29 DOI: 10.1016/j.solidstatesciences.2024.107780
Ryoji Funahashi , Yoko Matsumura , Hiroyo Murakami , Tomoyuki Urata , Hitomi Ikenishi , Takashi Sekine
Thermoelectric modules composed of n-type half-Heusler (HH: Ti0.75Hf0.25NiSn) and p-type oxide (OX: Ca2.7Bi0.3Co4O9) materials have been prepared using silver (Ag)-based pastes to form junctions. The maximum power output Pmax of the modules depends on the ratio of the cross-sectional area between the HH and the OX materials because of their different electrical and thermal conduction properties. The highest Pmax value is obtained 1.7 W for the 16 n- and p-type thermoelectric pairs at the cross-sectional area ratio of n:p = 2:5. The maximum conversion efficiency η max is 1.1 % at about 500 K of the temperature difference between the hot and the cold sides of the module. Single-junction thermoelectric devices composed of either HH or OX materials and Ag sheet electrodes were prepared using the Ag paste mixed with silver oxide (Ag2O) or OX (same composition as the p-type material) powders, respectively, to compare the electrical resistance and joining strength. The additives in the Ag paste affected the electrical contact resistance and the joining strength at the junction between the thermoelectric materials and the Ag sheets. The increase in electrical contact resistance due to thermal shock was suppressed by the additives for both n- and p-type devices. Although the addition of Ag2O powder enhanced the joining strength between the HH material and the Ag sheet before thermal shock, this effect is not clear after thermal shock. Moreover, the additives improve the thermal durability of the HH/OX module against the hot-side temperature above 673 K. The degradation of the module is related to the electrical contact resistance at the junctions.
利用银(Ag)基浆料形成结,制备了n型半heusler (HH: Ti0.75Hf0.25NiSn)和p型氧化物(OX: Ca2.7Bi0.3Co4O9)材料组成的热电模块。模块的最大功率输出Pmax取决于HH和OX材料之间的横截面积之比,因为它们的电学和热传导特性不同。当截面积比为n:p = 2:5时,16对n型和p型热电偶的Pmax值最大,为1.7 W。在模组冷热侧温差约500 K时,最大转换效率η max为1.1%。将银浆料分别与氧化银(Ag2O)或氧化银(与p型材料成分相同)粉末混合,制备由HH或OX材料和Ag片电极组成的单结热电器件,比较其电阻和连接强度。银浆中添加的添加剂影响了热电材料与银片的接触电阻和连接强度。对于n型和p型器件,添加剂抑制了由于热冲击引起的电接触电阻的增加。虽然在热冲击前,Ag2O粉末的加入增强了HH材料与Ag片材之间的连接强度,但在热冲击后,这种效果并不明显。此外,添加剂提高了HH/OX模块在热侧温度高于673 K时的热耐久性。模块的退化与结点处的电接触电阻有关。
{"title":"Additives in silver paste improve the mechanical and thermal stability of thermoelectric modules composed of n-type half-Heusler and p-type oxide materials","authors":"Ryoji Funahashi ,&nbsp;Yoko Matsumura ,&nbsp;Hiroyo Murakami ,&nbsp;Tomoyuki Urata ,&nbsp;Hitomi Ikenishi ,&nbsp;Takashi Sekine","doi":"10.1016/j.solidstatesciences.2024.107780","DOIUrl":"10.1016/j.solidstatesciences.2024.107780","url":null,"abstract":"<div><div>Thermoelectric modules composed of <em>n-</em>type half-Heusler (HH: Ti<sub>0.75</sub>Hf<sub>0.25</sub>NiSn) and <em>p-</em>type oxide (OX: Ca<sub>2.7</sub>Bi<sub>0.3</sub>Co<sub>4</sub>O<sub>9</sub>) materials have been prepared using silver (Ag)-based pastes to form junctions. The maximum power output <em>P</em><sub>max</sub> of the modules depends on the ratio of the cross-sectional area between the HH and the OX materials because of their different electrical and thermal conduction properties. The highest <em>P</em><sub>max</sub> value is obtained 1.7 W for the 16 <em>n</em>- and <em>p</em>-type thermoelectric pairs at the cross-sectional area ratio of <em>n</em>:<em>p</em> = 2:5. The maximum conversion efficiency <em>η</em> <sub>max</sub> is 1.1 % at about 500 K of the temperature difference between the hot and the cold sides of the module. Single-junction thermoelectric devices composed of either HH or OX materials and Ag sheet electrodes were prepared using the Ag paste mixed with silver oxide (Ag<sub>2</sub>O) or OX (same composition as the <em>p-</em>type material) powders, respectively, to compare the electrical resistance and joining strength. The additives in the Ag paste affected the electrical contact resistance and the joining strength at the junction between the thermoelectric materials and the Ag sheets. The increase in electrical contact resistance due to thermal shock was suppressed by the additives for both <em>n-</em> and <em>p-</em>type devices. Although the addition of Ag<sub>2</sub>O powder enhanced the joining strength between the HH material and the Ag sheet before thermal shock, this effect is not clear after thermal shock. Moreover, the additives improve the thermal durability of the HH/OX module against the hot-side temperature above 673 K. The degradation of the module is related to the electrical contact resistance at the junctions.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"159 ","pages":"Article 107780"},"PeriodicalIF":3.4,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142757351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Improving the efficiency of polymer solar cells based on chitosan@PVA@rGO composites via gamma-irradiated treatment of rGO nanoparticles 通过伽马辐照处理氧化石墨烯纳米粒子,提高chitosan@PVA@氧化石墨烯复合材料聚合物太阳能电池的效率
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-11-27 DOI: 10.1016/j.solidstatesciences.2024.107773
M.A. Sebak , A.K. Aladim , M.M. Mostafa , M. Abdelhamid Shahat
Polymer solar cells (PSCs) are growing as attractive contenders for renewable energy technologies given their low cost, adaptability, and environmental sustainability, rendering them valuable in combating climate change. Interestingly, this work investigates the augmentation of photon absorption and overall efficiency in low-cost, effective active layers (ALs) via gamma irradiation treatment, thereby raising the number of active absorption sites. For the first time, novel Chitosan@PVA@rGO (CPG) composite sheets were created as AL materials and treated to varied dosages of in-situ gamma irradiation (0, 10, 20, 30, and 40 KGy) to optimize their microstructural and physicochemical characteristics. The processed ALs were subjected to comprehensive tests, which included J–V variable evaluation as well as evaluations of microstructure, porosity, morphology, contact angle, optical characteristics, and electrochemical impedance spectroscopy (EIS). The findings reveal that the composites' surface properties got better gradually as gamma irradiation dosages grew; peak performance was reached at 30 KGy (75.9 % apparent porosity and roughness parameter Ra = 6.22 μm). Extended gamma irradiation resulted in increased DSSC efficiency, which reached 6.85 % after 10 KGy and 7.63 % after 20 KGy. High-energy gamma photons boosted mobility and decreased resistive limits by reducing carrier recombination and facilitating charge carrier movement inside CPG compounds. This increased the longevity and charge transfer efficiency of the solar cell. After 30 KGy alteration, the CPG AL's optimized efficiency of 8.78 % and Jsc of 20.23 mA/cm2 indicate a 44.3 % improvement in efficacy over the pristine material. The insertion of oxygen-enriched free radicals into the CPG structure is responsible for the improvement in photovoltaic efficiency because it creates continuous pathways for fast electron transport. This work provides an innovative perspective on the use of heteroatom-doped ALs in PSCs by highlighting the benefits of co-doping and regulated heteroatom species.
聚合物太阳能电池(PSCs)由于其低成本、适应性和环境可持续性,在应对气候变化方面具有重要价值,正日益成为可再生能源技术的有力竞争者。有趣的是,这项工作研究了通过伽马辐照处理增加低成本、有效活性层(ALs)的光子吸收和整体效率,从而增加活性吸收位点的数量。本文首次制备了新型Chitosan@PVA@rGO (CPG)复合材料片材作为AL材料,并对其进行了不同剂量的原位γ辐照(0、10、20、30和40 KGy)处理,以优化其微观结构和理化特性。通过J-V变量评价、微观结构评价、孔隙度评价、形貌评价、接触角评价、光学特性评价和电化学阻抗谱(EIS)评价,对制备的铝酸盐进行了综合测试。结果表明:随着辐照剂量的增加,复合材料的表面性能逐渐变好;在30 KGy(75.9%表观孔隙率,粗糙度参数Ra = 6.22 μm)时达到峰值。延长伽玛辐射可提高DSSC效率,在10 KGy后达到6.85%,在20 KGy后达到7.63%。高能伽马光子通过减少载流子重组和促进电荷载流子在CPG化合物内的运动来提高迁移率和降低电阻极限。这增加了太阳能电池的寿命和电荷转移效率。经过30 KGy的改变,CPG AL的效率为8.78%,Jsc为20.23 mA/cm2,比原始材料的效率提高了44.3%。富氧自由基插入CPG结构是提高光伏效率的原因,因为它为快速电子传递创造了连续的途径。这项工作通过强调共掺杂和调控杂原子物种的好处,为在psc中使用杂原子掺杂ALs提供了一个创新的视角。
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引用次数: 0
H2O2-assisted Bi3NbO7 loaded on porous carbon for enhancing the photocatalytic degradation of tetracycline 多孔碳上负载的 H2O2- 辅助 Bi3NbO7 可提高四环素的光催化降解能力
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-11-19 DOI: 10.1016/j.solidstatesciences.2024.107763
Yao Wang , Pengzhan Zhang , Fan Li , Liang Zhang , Bing Xu , Kangkang Wang , Zhixian He , Yuyan Sun , Shengnan Zhang
Bi3NbO7 loaded on porous carbon (BNO/PC) composite materials has been prepared by the in-suit sol-gel method. The photocatalytic efficacy of the BNO/PC composite has been evaluated by degrading tetracycline (TC) in an environment of visible light and hydrogen peroxide. Moreover, the relevant influencing factors of TC degradation efficiency have been explored through a series of condition optimization experiments. UV–vis DRS and PL tests showed that the loading on porous carbon significantly broadens the visible light response range of the catalyst and improves the separation efficiency of photogenerated carriers. Compared with the bare BNO, the specific surface area and average pore diameter of the BNO/PC composite material increased greatly. The optimal sample of 35 % BNO/PC exhibited outstanding visible light response ability and excellent charge separation efficiency. The “cata + H2O2+vis” system had the highest photocatalytic activity, with TC degradation reaching 86.9 % after 60 min of visible light illumination. The addition of hydrogen peroxide (H2O2) promoted the formation of more powerful active substances. Following this, a mechanism for photocatalytic degradation has been proposed.
采用内服溶胶-凝胶法制备了负载在多孔碳上的 Bi3NbO7(BNO/PC)复合材料。通过在可见光和过氧化氢环境下降解四环素(TC),评估了 BNO/PC 复合材料的光催化功效。此外,还通过一系列条件优化实验探讨了四环素降解效率的相关影响因素。UV-vis DRS 和 PL 测试表明,多孔碳的负载显著拓宽了催化剂的可见光响应范围,提高了光生载流子的分离效率。与裸 BNO 相比,BNO/PC 复合材料的比表面积和平均孔径都大大增加。BNO/PC 含量为 35% 的最佳样品具有突出的可见光响应能力和优异的电荷分离效率。cata + H2O2 +vis "体系的光催化活性最高,在可见光照射 60 分钟后,TC 降解率达到 86.9%。过氧化氢(H2O2)的加入促进了更强活性物质的形成。据此,提出了一种光催化降解机制。
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引用次数: 0
Investigation of structural, magnetic, optical and dielectric characteristics of Al-doped MgFe2O4 nanoparticles 掺铝MgFe2O4纳米颗粒的结构、磁性、光学和介电特性研究
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-11-19 DOI: 10.1016/j.solidstatesciences.2024.107761
R. Srimathi , N.V.S.S.Seshagiri Rao , A. Merlin , R. Kiruthika , A. Selvaraj , Omar H. Abdelkader , Chandra Sekhar Dash , S. Revathi , Anis Ahamed , Jothi Ramalingam Rajabathar , M. Sundararajan , S. Yuvaraj , L. Rajadurai
In this study, MgAlₓFe₂₋ₓO₄ (0 ≤ x ≤ 0.5) nanoparticles were synthesized via the combustion method to investigate the structural, magnetic, optical, and dielectric effects of Al doping on MgFe₂O₄ ferrite. X-ray diffraction (XRD) analysis confirmed the successful formation of the MgFe₂O₄ crystalline phase, with crystallite sizes ranging from 34 to 45 nm. Field emission scanning electron microscopy (FE-SEM) revealed a spherical morphology, and energy-dispersive X-ray spectroscopy (EDX) confirmed the presence of magnesium, iron, oxygen, and the introduced aluminum. Diffuse reflectance spectroscopy measured an optical band gap between 2.03 and 2.13 eV, indicating Al's influence on electronic properties. Dielectric measurements showed that the Al-doped samples exhibited enhanced dielectric constants and AC conductivity compared to the undoped ferrite, making them promising candidates for optoelectronic, photocatalytic, and energy storage applications. These results highlight the potential of Al-doped MgFe₂O₄ nanoparticles in advancing functional materials for data storage and energy-related technologies.
本研究通过燃烧法制备了MgAlₓFe₂₄ₓO₄(0≤x≤0.5)纳米颗粒,研究了Al掺杂对MgFe₂O₄铁氧体的结构、磁性、光学和介电效应。x射线衍射(XRD)分析证实MgFe₂O₄晶相成功形成,晶粒尺寸在34 ~ 45 nm之间。场发射扫描电镜(FE-SEM)显示出球形形貌,能量色散x射线光谱(EDX)证实了镁、铁、氧和引入铝的存在。漫反射光谱测量到的光学带隙在2.03 ~ 2.13 eV之间,表明Al对电子性质的影响。电介质测量表明,与未掺杂的铁氧体相比,al掺杂样品具有更高的介电常数和交流电导率,使其成为光电子,光催化和储能应用的有希望的候选者。这些结果突出了al掺杂MgFe₂O₄纳米颗粒在推进数据存储和能源相关技术的功能材料方面的潜力。
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引用次数: 0
Synthesis and characterization of WO3-GO nanocomposite for hydrogen storage, electrochemical, antibacterial and anticancer applications 用于储氢、电化学、抗菌和抗癌的 WO3-GO 纳米复合材料的合成与表征
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-11-19 DOI: 10.1016/j.solidstatesciences.2024.107764
M. Muniyalakshmi , C. Anantha Prabhu , D. Thilaga Sundari , R. Sarika , D. Silambarasan , V. Prasanna Venkatesh
Tungsten trioxide nanoparticles (WO3 NPs), Graphene oxide nanosheets (GO NSs), and WO3-GO (50 mg and 100 mg) nanocomposites (NCs) were successfully synthesized by using precipitation, modified Hummer's and ultrasonication methods, respectively. Various characterization techniques were used to confirm the formation of individual and composite materials. Hydrogen storage, electrochemical, antibacterial and anticancer properties of the synthesized materials were studied. Formation of the composite was confirmed by XRD, Raman and XPS analyses. Surface area and pore size distribution of WO3 NPs and WO3-GO NC were studied by using BET analysis. Hydrogen storage capacity of WO3-GO 50 mg and WO3-GO100 mg NCs was found to be 1.05 and 2.08 wt%, respectively. XRD, Raman, elemental and TG analyses were used to examine the adsorption and desorption of hydrogen. WO3-GO NCs showed higher specific capacitance as compared to WO3 NPs. Antibacterial activity against E. coli, S. aureus bacteria and anticancer effect against human breast cancer cells of WO3 NPs and WO3-GO NC were examined. Based on the studies, it is evident that the inclusion of GO enhanced the hydrogen storage, specific capacitance, antibacterial and anticancer activities of the composite.
采用沉淀法、改良悍马法和超声法分别成功合成了三氧化钨纳米颗粒(WO3 NPs)、氧化石墨烯纳米片(GO NSs)和 WO3-GO (50 毫克和 100 毫克)纳米复合材料(NCs)。利用各种表征技术确认了单个材料和复合材料的形成。研究了合成材料的储氢、电化学、抗菌和抗癌性能。X射线衍射、拉曼和 XPS 分析证实了复合材料的形成。利用 BET 分析法研究了 WO3 NPs 和 WO3-GO NC 的表面积和孔径分布。发现 WO3-GO 50 mg 和 WO3-GO100 mg NCs 的储氢能力分别为 1.05 和 2.08 wt%。XRD、拉曼、元素和 TG 分析被用来研究氢的吸附和解吸。与 WO3 NPs 相比,WO3-GO NCs 显示出更高的比电容。研究还考察了 WO3 NPs 和 WO3-GO NC 对大肠杆菌和金黄色葡萄球菌的抗菌活性以及对人类乳腺癌细胞的抗癌效果。研究结果表明,GO 的加入增强了复合材料的储氢、比电容、抗菌和抗癌活性。
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引用次数: 0
Self-assembly of Cucurbit[6]uril-Silicotungstic acid and adsorption properties for cationic dyes 葫芦[6]脲-硅钨酸的自组装及其对阳离子染料的吸附特性
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-11-17 DOI: 10.1016/j.solidstatesciences.2024.107760
Liling Zeng, Xianyan Ao, Manli Xu, Yunqian Zhang, Zhu Tao
The development of environmentally friendly adsorbents with low cost and high selectivity is often more able to meet the needs of practical applications. In this study, a novel adsorbent Q[6]-STA capable of rapidly and effectively adsorbing cationic dyes was prepared by self-assembly of cucurbit[6]uril (Q[6]) and silicotungstic acid (STA). Q[6]-STA assembly has good thermal stability and significantly improved specific surface area and porosity. The adsorption capacities of Q[6]-STA for crystal violet (CV), malachite green (MG) and methylene blue (MB) are 475.59, 351.98 and 238.16 mg/g, respectively. The efficient adsorption performance for cation dyes is attributed to the high electronegativity of Q[6]-STA surface. This also makes the adsorbent exhibit high selectivity for cationic dyes in anionic/cationic mixed dyes. Thermodynamic analysis shows that the adsorption procedure of Q[6]-STA is unprompted and endothermal. Electrostatic interaction and π-π conjugation effect are possible adsorption driving forces. In the regeneration experiment, the adsorbent is easy to be separated and desorbed, can be recycled, and has good stability.
开发低成本、高选择性的环保型吸附剂往往更能满足实际应用的需要。本研究通过葫芦[6]脲(Q[6])和硅钨酸(STA)的自组装制备了一种能够快速有效吸附阳离子染料的新型吸附剂 Q[6]-STA。Q[6]-STA 组装具有良好的热稳定性,比表面积和孔隙率显著提高。Q[6]-STA 对结晶紫(CV)、孔雀石绿(MG)和亚甲基蓝(MB)的吸附容量分别为 475.59、351.98 和 238.16 mg/g。阳离子染料的高效吸附性能得益于 Q[6]-STA 表面的高电负性。这也使得该吸附剂对阴离子/阳离子混合染料中的阳离子染料具有较高的选择性。热力学分析表明,Q[6]-STA 的吸附过程是非催化和内热的。静电作用和 π-π 共轭效应是可能的吸附驱动力。在再生实验中,吸附剂易于分离和解吸,可以循环使用,稳定性好。
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引用次数: 0
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Solid State Sciences
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