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Plasmonic bismuth and CuBi2O4–Bi2O2CO3 deposition on sulfur-doped g-C3N4 for efficiently removing antibiotics upon visible light 等离子体铋和CuBi2O4-Bi2O2CO3沉积在硫掺杂的g-C3N4上,在可见光下有效去除抗生素
IF 6.2 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-11-01 Epub Date: 2025-11-16 DOI: 10.1016/j.flatc.2025.100971
Zahra Salmanzadeh-Jamadi , Aziz Habibi-Yangjeh , Alireza Khataee
Lately, there has been significant focus on pharmaceutical contaminants due to their destructive effects on the environment and potential toxicity to animals, humans, and aquatic ecosystems. An effective strategy to address these challenges is the application of heterogeneous photocatalysis utilizing semiconducting materials, which plays a crucial role in mitigating environmental hazards. In this research, bismuth nanoparticles and CuBi2O4–Bi2O2CO3 (denoted as CBO–BOC) were effectively deposited on S-doped g-C3N4 (denoted as SCN) through a simple approach. These photocatalysts were employed to purify water contaminated with four different antibiotics (tetracycline hydrochloride (TCH), cephalexin (CPN), azithromycin (AZM), and metronidazole (MET)) upon visible light. The TCH degradation rate over the optimized Bi/CBO–BOC/SCN nanocomposite reached 99.7 % within 75 min, and the degradation constant was 754 × 10−4 min−1, which was 8.98, 9.08, and 2.52 folds higher than SCN, CBO–BOC, and CBO–BOC/SCN (10 %) photocatalysts, respectively. The enhanced performance was devoted to the presence of metallic bismuth with surface plasmon resonance properties, sulfur doping, and the development of dual Z-type heterojunctions in the developed nanocomposite. This combination promoted the movement of photogenerated electrons while suppressing the recombination of electron/hole pairs, promoted the number of active sites, as well as visible-light harvesting properties. The results provide a simple method for preparing heterogeneous plasmonic photocatalysts for the degradation of common antibiotics, and we expect that they could be applied on a large scale for the treatment of industrial and domestic wastewaters.
最近,由于药物污染物对环境的破坏性影响以及对动物、人类和水生生态系统的潜在毒性,人们对其进行了大量关注。解决这些挑战的有效策略是利用半导体材料进行多相光催化,这在减轻环境危害方面起着至关重要的作用。在本研究中,铋纳米粒子和CuBi2O4-Bi2O2CO3(记为CBO-BOC)通过一种简单的方法有效地沉积在s掺杂的g-C3N4(记为SCN)上。利用这些光催化剂在可见光下净化被盐酸四环素(TCH)、头孢氨苄(CPN)、阿奇霉素(AZM)和甲硝唑(MET)四种不同抗生素污染的水。优化后的Bi/ CBO-BOC /SCN纳米复合材料在75 min内对TCH的降解率达到99.7%,降解常数为754 × 10−4 min−1,分别比SCN、CBO-BOC和CBO-BOC /SCN(10%)光催化剂高8.98倍、9.08倍和2.52倍。纳米复合材料的性能增强主要是由于表面等离子体共振特性的金属铋的存在、硫的掺杂以及双z型异质结的发展。这种组合促进了光生电子的运动,同时抑制了电子/空穴对的重组,提高了活性位点的数量,以及可见光捕获性能。该结果为制备非均相等离子体光催化剂降解常见抗生素提供了一种简单的方法,有望在工业和生活废水的大规模处理中得到应用。
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引用次数: 0
First-principles investigation of bimetallic Janus ScTaCO2 MXene: Structure, stability, and gas-sensing performance 双金属Janus ScTaCO2 MXene的第一性原理研究:结构、稳定性和气敏性能
IF 6.2 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-11-01 Epub Date: 2025-10-29 DOI: 10.1016/j.flatc.2025.100961
José A.S. Laranjeira , Nicolas F. Martins , Fredy M. Gonzalo , Victor J.R. Rivera , Efracio M. Flores , Pablo A. Denis , Julio R. Sambrano
<div><div>In this study, a first-principles investigation of bimetallic Janus ScTaCO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> MXene is conducted, a novel two-dimensional carbide with Sc and Ta atoms positioned on opposite layers. This structure features lattice parameters of <span><math><mrow><mi>a</mi><mo>=</mo><mi>b</mi><mo>=</mo><mn>3</mn><mo>.</mo><mn>18</mn></mrow></math></span> Å and a cohesive energy of <span><math><mrow><mo>−</mo><mn>5</mn><mo>.</mo><mn>80</mn></mrow></math></span> eV/atom. Phonon dispersion reveals and <em>ab initio</em> molecular dynamics (AIMD) attest to the dynamic and thermal stability of this new material. An indirect band gap is reported, measured at 1.35 eV (2.24 eV) using the PBE (HSE06) method. It exhibits an isotropic onset of optical absorption, starting at 1.4 eV, with an absorption peak in the green-blue range. Evaluating the elastic constants, it was found <span><math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>11</mn></mrow></msub><mo>=</mo><msub><mrow><mi>C</mi></mrow><mrow><mn>22</mn></mrow></msub><mo>=</mo><mn>263</mn><mo>.</mo><mn>74</mn><mspace></mspace><mi>N/m</mi></mrow></math></span>, <span><math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>12</mn></mrow></msub><mo>=</mo><mn>38</mn><mo>.</mo><mn>45</mn><mspace></mspace><mi>N/m</mi></mrow></math></span>, and <span><math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>66</mn></mrow></msub><mo>=</mo><mn>112</mn><mo>.</mo><mn>64</mn><mspace></mspace><mi>N/m</mi></mrow></math></span>, all fulfilling the Born–Huang criteria, which subsequently result in a calculated Young’s modulus of 258 N/m and a Poisson’s ratio of 0.146. Engaging in gas-sensing performance, gases such as NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, NH<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>CH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, NH(CH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>)<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, and PH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> were examined, revealing adsorption energies between <span><math><mrow><mo>−</mo><mn>0</mn><mo>.</mo><mn>318</mn></mrow></math></span> and <span><math><mrow><mo>−</mo><mn>0</mn><mo>.</mo><mn>917</mn><mspace></mspace><mi>eV</mi></mrow></math></span>. Shifts in work-function up to 0.884 eV were noticed, alongside recovery times between <span><math><mrow><mn>2</mn><mo>.</mo><mn>23</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mo>−</mo><mn>7</mn></mrow></msup></mrow></math></span> s for PH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> and <span><math><mrow><mn>2</mn><mo>.</mo><mn>57</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>3</mn></mrow></msup></mrow></math></span> s for NH(CH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow
在这项研究中,对双金属Janus ScTaCO2 MXene进行了第一性原理研究,这是一种新的二维碳化物,Sc和Ta原子位于相反的层上。该结构的晶格参数为a=b=3.18 Å,内聚能为−5.80 eV/原子。声子色散揭示和从头算分子动力学(AIMD)证明了这种新材料的动态和热稳定性。使用PBE (HSE06)方法测量了1.35 eV (2.24 eV)的间接带隙。它表现出各向同性的光吸收,从1.4 eV开始,吸收峰在绿蓝范围内。计算弹性常数,得到C11=C22=263.74N/m, C12=38.45N/m, C66=112.64N/m,均满足Born-Huang准则,计算得到杨氏模量为258 N/m,泊松比为0.146。对NH3、NH2CH3、NH(CH3)2、PH3等气体进行气敏测试,发现吸附能在−0.318 ~−0.917eV之间。工作函数的变化高达0.884 eV,同时在300 K时PH3的恢复时间为2.23×10−7 s, nh3 (CH3)2的恢复时间为2.57×103 s,当温度上升到900 K时,恢复时间降至1 s以下。Bader电荷分析记录的传输范围为0.18-0.22 e。我们的全面分析旨在强调Janus MXenes的独特特征,并强调它们在环境监测和安全方面的重要性,从而在公共卫生保护和工业安全标准中发挥关键作用。
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This structure features lattice parameters of &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;a&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mi&gt;b&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;18&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; Å and a cohesive energy of &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;80&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; eV/atom. Phonon dispersion reveals and &lt;em&gt;ab initio&lt;/em&gt; molecular dynamics (AIMD) attest to the dynamic and thermal stability of this new material. An indirect band gap is reported, measured at 1.35 eV (2.24 eV) using the PBE (HSE06) method. It exhibits an isotropic onset of optical absorption, starting at 1.4 eV, with an absorption peak in the green-blue range. Evaluating the elastic constants, it was found &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;11&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;22&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;263&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;74&lt;/mn&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mi&gt;N/m&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;12&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;38&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;45&lt;/mn&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mi&gt;N/m&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;66&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;112&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;64&lt;/mn&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mi&gt;N/m&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, all fulfilling the Born–Huang criteria, which subsequently result in a calculated Young’s modulus of 258 N/m and a Poisson’s ratio of 0.146. Engaging in gas-sensing performance, gases such as NH&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;, NH&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;CH&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;, NH(CH&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;)&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;, and PH&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; were examined, revealing adsorption energies between &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;318&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;917&lt;/mn&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mi&gt;eV&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;. Shifts in work-function up to 0.884 eV were noticed, alongside recovery times between &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;23&lt;/mn&gt;&lt;mo&gt;×&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mn&gt;7&lt;/mn&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; s for PH&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;57&lt;/mn&gt;&lt;mo&gt;×&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; s for NH(CH&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100961"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462871","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 pressure sensors based on multi-walled carbon nanotubes and corn stover fiber paper 基于多壁碳纳米管和玉米秸秆纤维纸的柔性压力传感器
IF 6.2 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-11-01 Epub Date: 2025-11-23 DOI: 10.1016/j.flatc.2025.100972
Jijun Ding, Panting Zheng, Yongfeng Qu, Haixia Chen, Boquan Ren
Paper-based sensors have shown significant application due to their wide source of raw materials, low cost and biodegradability. This study aims to develop a novel, eco-friendly paper-based pressure sensor using corn stover as a raw material, offering a sustainable alternative to conventional sensing materials. Fibers are extracted from corn stover through alkaline cooking, followed by pulp preparation with chemical reagents. The pulp is then blended with a dispersed multi-walled carbon nanotubes (MWCNTs) solution to form a conductive composite. The sensing layer is fabricated via vacuum filtration and subsequent drying, resulting in a flexible and conductive paper substrate. The sensor exhibits a board sensing range (0–40.7 kPa) with high sensitivities of 15.13 kPa−1 (0–11.7 kPa) and 10.21 kPa−1 (11.7–24.5 kPa), along with rapid response and recovery time of 330 and 248 ms, respectively. The sensors enable monitoring of human physiological signals (such as pulse) and joint movements, along with posture correction. Furthermore, the sensor array demonstrates the capability to collect both spatial distributions and intensity signals of pressure. The results demonstrate the potential applications in flexible electronic devices.
纸基传感器具有原料来源广、成本低、可生物降解等优点,具有重要的应用前景。本研究旨在开发一种新型的、环保的、以玉米秸秆为原料的纸质压力传感器,为传统的传感材料提供一种可持续的替代品。以玉米秸秆为原料,通过碱性蒸煮提取纤维,然后用化学试剂制备纸浆。然后将纸浆与分散的多壁碳纳米管(MWCNTs)溶液混合,形成导电复合材料。感应层通过真空过滤和随后的干燥制造,从而产生柔性和导电的纸基板。该传感器具有板级感应范围(0 ~ 40.7 kPa),高灵敏度15.13 kPa−1 (0 ~ 11.7 kPa)和10.21 kPa−1 (11.7 ~ 24.5 kPa),快速响应和恢复时间分别为330和248 ms。这些传感器能够监测人体生理信号(如脉搏)和关节运动,以及纠正姿势。此外,传感器阵列显示了收集空间分布和压力强度信号的能力。结果表明了该方法在柔性电子器件中的潜在应用。
{"title":"Flexible pressure sensors based on multi-walled carbon nanotubes and corn stover fiber paper","authors":"Jijun Ding,&nbsp;Panting Zheng,&nbsp;Yongfeng Qu,&nbsp;Haixia Chen,&nbsp;Boquan Ren","doi":"10.1016/j.flatc.2025.100972","DOIUrl":"10.1016/j.flatc.2025.100972","url":null,"abstract":"<div><div>Paper-based sensors have shown significant application due to their wide source of raw materials, low cost and biodegradability. This study aims to develop a novel, eco-friendly paper-based pressure sensor using corn stover as a raw material, offering a sustainable alternative to conventional sensing materials. Fibers are extracted from corn stover through alkaline cooking, followed by pulp preparation with chemical reagents. The pulp is then blended with a dispersed multi-walled carbon nanotubes (MWCNTs) solution to form a conductive composite. The sensing layer is fabricated via vacuum filtration and subsequent drying, resulting in a flexible and conductive paper substrate. The sensor exhibits a board sensing range (0–40.7 kPa) with high sensitivities of 15.13 kPa<sup>−1</sup> (0–11.7 kPa) and 10.21 kPa<sup>−1</sup> (11.7–24.5 kPa), along with rapid response and recovery time of 330 and 248 ms, respectively. The sensors enable monitoring of human physiological signals (such as pulse) and joint movements, along with posture correction. Furthermore, the sensor array demonstrates the capability to collect both spatial distributions and intensity signals of pressure. The results demonstrate the potential applications in flexible electronic devices.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100972"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614614","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
Structural and magnetic response of liquid-phase exfoliated graphene induced by boron doping 硼掺杂诱导液相剥离石墨烯的结构和磁响应
IF 6.2 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-11-01 Epub Date: 2025-11-21 DOI: 10.1016/j.flatc.2025.100967
Sergio Morales , Johanns Canaval , Viviana Gomez , Gustavo A. Orozco , Yenny Hernandez
Boron-doped graphene was synthesized from electrochemically exfoliated graphene (EEG) in Cyrene, DMF or NMP solvents, followed by freeze-drying and thermal treatment. Comprehensive characterization (Raman, XRD, FTIR, VSM) reveals that solvent selection influences the doping mechanism and resulting structure. Cyrene’s high viscosity promotes a porous architecture during freeze-drying, preserving EEG quality and enabling boron intercalation between graphene layers. This is evidenced by distinct signatures: a Raman sub-peak near the G band, the sharpening of the (002) XRD peak, and a magnetic transition from paramagnetic to diamagnetic behavior—analogous to lithium-intercalated graphite. In contrast, DMF and NMP lead to boron binding primarily at defects or edges, with significantly lower boron concentrations, resulting in weak turbostratic stacking, broader XRD peaks, and suppressed magnetic responses. These findings suggest that solvent properties, particularly viscosity, play a key role in determining the efficiency of boron doping and the resulting structural organization of the graphene-based materials.
以电化学剥离的石墨烯(EEG)为原料,在Cyrene、DMF或NMP溶剂中合成硼掺杂石墨烯,然后进行冷冻干燥和热处理。综合表征(Raman, XRD, FTIR, VSM)表明溶剂选择影响掺杂机理和结构。昔兰尼的高粘度在冷冻干燥过程中促进多孔结构,保持脑电图质量,并使硼能够在石墨烯层之间嵌入。明显的特征证明了这一点:G波段附近的拉曼亚峰,(002)XRD峰的锐化,以及从顺磁性到反磁性的磁性转变行为-类似于锂插层石墨。相比之下,DMF和NMP导致硼主要在缺陷或边缘结合,硼浓度明显降低,导致弱涡层堆积,XRD峰更宽,磁响应受到抑制。这些发现表明,溶剂性质,特别是粘度,在决定硼掺杂的效率和石墨烯基材料的结构组织方面起着关键作用。
{"title":"Structural and magnetic response of liquid-phase exfoliated graphene induced by boron doping","authors":"Sergio Morales ,&nbsp;Johanns Canaval ,&nbsp;Viviana Gomez ,&nbsp;Gustavo A. Orozco ,&nbsp;Yenny Hernandez","doi":"10.1016/j.flatc.2025.100967","DOIUrl":"10.1016/j.flatc.2025.100967","url":null,"abstract":"<div><div>Boron-doped graphene was synthesized from electrochemically exfoliated graphene (EEG) in Cyrene, DMF or NMP solvents, followed by freeze-drying and thermal treatment. Comprehensive characterization (Raman, XRD, FTIR, VSM) reveals that solvent selection influences the doping mechanism and resulting structure. Cyrene’s high viscosity promotes a porous architecture during freeze-drying, preserving EEG quality and enabling boron intercalation between graphene layers. This is evidenced by distinct signatures: a Raman sub-peak near the G band, the sharpening of the (002) XRD peak, and a magnetic transition from paramagnetic to diamagnetic behavior—analogous to lithium-intercalated graphite. In contrast, DMF and NMP lead to boron binding primarily at defects or edges, with significantly lower boron concentrations, resulting in weak turbostratic stacking, broader XRD peaks, and suppressed magnetic responses. These findings suggest that solvent properties, particularly viscosity, play a key role in determining the efficiency of boron doping and the resulting structural organization of the graphene-based materials.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100967"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614613","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
Unveiling the multifactorial coupling effects on electronic properties and irradiation behavior of transition metal dichalcogenides MS2 (M = Mo, W, V) 揭示过渡金属二硫族化合物MS2 (M = Mo, W, V)电子性质和辐照行为的多因子耦合效应
IF 6.2 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-11-01 Epub Date: 2025-09-20 DOI: 10.1016/j.flatc.2025.100942
Ru-song Li , Ling-Jun Zheng , Kang Li , Jia-huan Zhang , Zheng Xie , Jin-tao Wang , Fei Wang
This study reveals the multifactorial impacts on the electronic properties and irradiation response of transition metal dichalcogenides (TMDs) MS2 (M = Mo, W, V). Employing first-principles calculations, we unravel the intricate interplay between d-electron correlations, magnetic ordering, and van der Waals interactions. Our results highlight that these interactions significantly modulate the band structures and phase stability of TMDs, leading to phenomena such as metal-insulator transitions and bandgap engineering. Additionally, we explore the effects of neutron irradiation on TMDs, revealing defect-induced structural metastability and electronic phase transitions. This work not only enhances our understanding of TMDs but also paves the way for designing advanced electronic and spintronic devices with tailored properties.
本研究揭示了过渡金属二硫族化合物(TMDs) MS2 (M = Mo, W, V)的电子特性和辐照响应的多因素影响。采用第一性原理计算,我们揭示了d电子相关性,磁有序和范德华相互作用之间复杂的相互作用。我们的研究结果强调,这些相互作用显著地调节了tmd的能带结构和相稳定性,导致了金属-绝缘体跃迁和带隙工程等现象。此外,我们探讨了中子辐照对tmd的影响,揭示了缺陷诱导的结构亚稳态和电子相变。这项工作不仅提高了我们对tmd的理解,而且为设计具有定制特性的先进电子和自旋电子器件铺平了道路。
{"title":"Unveiling the multifactorial coupling effects on electronic properties and irradiation behavior of transition metal dichalcogenides MS2 (M = Mo, W, V)","authors":"Ru-song Li ,&nbsp;Ling-Jun Zheng ,&nbsp;Kang Li ,&nbsp;Jia-huan Zhang ,&nbsp;Zheng Xie ,&nbsp;Jin-tao Wang ,&nbsp;Fei Wang","doi":"10.1016/j.flatc.2025.100942","DOIUrl":"10.1016/j.flatc.2025.100942","url":null,"abstract":"<div><div>This study reveals the multifactorial impacts on the electronic properties and irradiation response of transition metal dichalcogenides (TMDs) <em>M</em>S<sub>2</sub> (<em>M</em> = Mo, W, V). Employing first-principles calculations, we unravel the intricate interplay between d-electron correlations, magnetic ordering, and van der Waals interactions. Our results highlight that these interactions significantly modulate the band structures and phase stability of TMDs, leading to phenomena such as metal-insulator transitions and bandgap engineering. Additionally, we explore the effects of neutron irradiation on TMDs, revealing defect-induced structural metastability and electronic phase transitions. This work not only enhances our understanding of TMDs but also paves the way for designing advanced electronic and spintronic devices with tailored properties.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100942"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119432","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
Role of transition metal and etchant in the synthesis of MXenes (Ti-, V-, and Cr-) and their electrochemical properties as supercapacitor electrodes 过渡金属和蚀刻剂在MXenes (Ti-, V-和Cr-)合成中的作用及其作为超级电容器电极的电化学性能
IF 6.2 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-11-01 Epub Date: 2025-09-24 DOI: 10.1016/j.flatc.2025.100944
Syeda Sheeza Nadeem , Rizwan Khan , Afiten Rahmin Sanjaya , Muhammad Iqbal Syauqi , Yulia Mariana Tesa Ayudia Putri , Respati Kevin Pramadewandaru , Ferry Anggoro Ardy Nugroho , Munawar Khalil , Tribidasari Anggraningrum Ivandini
The effect of varying etchant on the synthesis of early 1st-row transition metal-based MXenes, including titanium (Ti), vanadium (V), and chromium (Cr), from their corresponding MAX phases were explored for supercapacitor applications. The MXenes were synthesised via chemical etching using HF/HCl or NaF/HCl mixtures, revealing that HF favors Ti-MXene while NaF is more effective for V- and Cr-MXenes. Comprehensive physiochemical characterisation including XRD, FTIR and XPS analyses confirmed the successful formation of transition metal carbides. FE-SEM/EDS and HR-TEM analyses revealed a two-dimensional layered morphology in each MXene with distinct lattice fringes, exhibiting d-spacing values of 0.245 nm, 1.556 nm, and 0.549 nm for Ti3C2Tx, V2CTx, and Cr2CTx respectively, confirming their crystalline nature. Furthermore, cyclic voltammetry revealed that V2CTx delivered the highest specific capacitance at 408.26 F g−1, compared to Ti3C2Tx (97.23 F g−1) and Cr2CTx (72.92 F g−1) at 2 mV s−1. Similarly, galvanostatic charge-discharge measurements showed a capacitance of 625.00 F g−1 for V2CTx, significantly outperforming Ti3C2Tx (191.44 F g−1) and Cr2CTx (41.19 F g−1) at 0.5 A g−1, while electrochemical impedance spectroscopy further confirmed its higher conductivity than the other MXenes. These findings underscore the critical role of the etchant in MXene synthesis and demonstrate the superior electrochemical performance of V-MXenes for supercapacitor electrodes.
研究了不同蚀刻剂对钛(Ti)、钒(V)和铬(Cr)等第一行过渡金属基MXenes的影响,探讨了其在超级电容器中的应用。用HF/HCl或NaF/HCl混合物进行化学刻蚀合成MXenes,发现HF有利于ti -MXenes, NaF对V-和Cr-MXenes更有效。包括XRD、FTIR和XPS分析在内的综合理化表征证实了过渡金属碳化物的成功形成。FE-SEM/EDS和HR-TEM分析显示,Ti3C2Tx、V2CTx和Cr2CTx的d-spacing分别为0.245 nm、1.556 nm和0.549 nm,各MXene均呈二维层状,具有明显的晶格条纹,证实了它们的结晶性质。此外,循环伏安法表明,在2mv s−1下,V2CTx的比电容最高,为408.26 F g−1,而Ti3C2Tx为97.23 F g−1,Cr2CTx为72.92 F g−1。同样,恒流充放电测量表明,V2CTx的电容为625.00 F g−1,显著优于Ti3C2Tx (191.44 F g−1)和Cr2CTx (41.19 F g−1),而电化学阻抗谱进一步证实了其电导率高于其他MXenes。这些发现强调了蚀刻剂在MXene合成中的关键作用,并证明了v -MXene用于超级电容器电极的优越电化学性能。
{"title":"Role of transition metal and etchant in the synthesis of MXenes (Ti-, V-, and Cr-) and their electrochemical properties as supercapacitor electrodes","authors":"Syeda Sheeza Nadeem ,&nbsp;Rizwan Khan ,&nbsp;Afiten Rahmin Sanjaya ,&nbsp;Muhammad Iqbal Syauqi ,&nbsp;Yulia Mariana Tesa Ayudia Putri ,&nbsp;Respati Kevin Pramadewandaru ,&nbsp;Ferry Anggoro Ardy Nugroho ,&nbsp;Munawar Khalil ,&nbsp;Tribidasari Anggraningrum Ivandini","doi":"10.1016/j.flatc.2025.100944","DOIUrl":"10.1016/j.flatc.2025.100944","url":null,"abstract":"<div><div>The effect of varying etchant on the synthesis of early 1st-row transition metal-based MXenes, including titanium (Ti), vanadium (V), and chromium (Cr), from their corresponding MAX phases were explored for supercapacitor applications. The MXenes were synthesised via chemical etching using HF/HCl or NaF/HCl mixtures, revealing that HF favors Ti-MXene while NaF is more effective for V- and Cr-MXenes. Comprehensive physiochemical characterisation including XRD, FTIR and XPS analyses confirmed the successful formation of transition metal carbides. FE-SEM/EDS and HR-TEM analyses revealed a two-dimensional layered morphology in each MXene with distinct lattice fringes, exhibiting d-spacing values of 0.245 nm, 1.556 nm, and 0.549 nm for Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>, V<sub>2</sub>CT<sub>x</sub>, and Cr<sub>2</sub>CT<sub>x</sub> respectively, confirming their crystalline nature. Furthermore, cyclic voltammetry revealed that V<sub>2</sub>CT<sub>x</sub> delivered the highest specific capacitance at 408.26 F g<sup>−1</sup>, compared to Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> (97.23 F g<sup>−1</sup>) and Cr<sub>2</sub>CT<sub>x</sub> (72.92 F g<sup>−1</sup>) at 2 mV s<sup>−1</sup>. Similarly, galvanostatic charge-discharge measurements showed a capacitance of 625.00 F g<sup>−1</sup> for V<sub>2</sub>CT<sub>x</sub>, significantly outperforming Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> (191.44 F g<sup>−1</sup>) and Cr<sub>2</sub>CT<sub>x</sub> (41.19 F g<sup>−1</sup>) at 0.5 A g<sup>−1</sup>, while electrochemical impedance spectroscopy further confirmed its higher conductivity than the other MXenes. These findings underscore the critical role of the etchant in MXene synthesis and demonstrate the superior electrochemical performance of V-MXenes for supercapacitor electrodes.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100944"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217255","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
Investigating Ohmic contacts in PtSe2-based electronics 研究基于ptse2的电子器件中的欧姆接触
IF 6.2 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-11-01 Epub Date: 2025-09-22 DOI: 10.1016/j.flatc.2025.100943
M. Sojková , O. Pohorelec , J. Hrdá , T.E. Krajčovičová , A. Kozak , L. Pribusová Slušná , T. Ščepka , M. Hulman , M. Maťko , V. Vretenár , I. Píš , F. Bondino , M. Ťapajna , D. Gregušová
Transition metal dichalcogenides (TMDs) hold significant promise for next-generation electronic devices due to their unique electrical and structural properties. However, the performance of TMD-based devices is strongly influenced by the nature of the metal–semiconductor contacts. Achieving low-resistance, stable, and efficient contacts remains a key challenge and a crucial factor in fully realizing the potential of TMD materials in practical applications. In particular, platinum diselenide (PtSe2) has emerged as a compelling candidate due to its tunable electronic properties and suitability for scalable synthesis. Advanced fabrication and precise contact engineering are key to minimizing interfacial degradation and maximizing device performance.
In this study, epitaxial PtSe2 layers were synthesized on c-plane sapphire, providing an ideal platform for scalable device fabrication. PtSe2-based electronic structures were fabricated by a two-resist lift-off technique combined with a one-zone chalcogenization approach.
We have focused on the systematical contact engineering investigation by evaluating nickel (Ni) and platinum (Pt) as source/drain electrodes. Electrical characterization showed a threefold reduction in Pt contact resistance as compared to Ni. Correlative scanning transmission electron microscopy (STEM) and energy-dispersive X-ray spectroscopy (EDX) confirm that Pt diffuses toward the substrate without disrupting the PtSe2 layers, whereas Ni induces severe top-layer degradation.
To investigate the impact of thickness on device performance, we gradually reduced the thickness of few-layer PtSe2 in Transfer Length Method (TLM) structures with Pt/Au contacts. The films maintained continuous morphology and stable electrical behavior down to 1.5 nm, while further reduction led to increased surface roughness, void formation, and a notable rise in sheet and contact resistance.
These findings highlight the critical role of contact engineering and interface quality in preserving film integrity and optimizing device performance. Moreover, the results offer a scalable fabrication pathway for integrating PtSe2 and related TMDs into high-performance electronic applications.
过渡金属二硫族化合物(TMDs)由于其独特的电学和结构特性,在下一代电子器件中具有重要的应用前景。然而,基于tmd的器件的性能受到金属-半导体触点性质的强烈影响。实现低电阻、稳定和高效的接触仍然是充分发挥TMD材料在实际应用中的潜力的关键挑战和关键因素。特别是二硒化铂(PtSe2)由于其可调谐的电子特性和可扩展合成的适用性而成为令人信服的候选者。先进的制造和精确的接触工程是最小化接口退化和最大化器件性能的关键。在本研究中,在c平面蓝宝石上合成了外延PtSe2层,为可扩展器件的制造提供了理想的平台。采用双阻发射技术结合单区硫化方法制备了ptse2基电子结构。通过对镍(Ni)和铂(Pt)作为源极/漏极的评价,重点进行了系统的接触工程研究。电学表征表明,与Ni相比,Pt的接触电阻降低了三倍。相关扫描透射电子显微镜(STEM)和能量色散x射线光谱(EDX)证实,Pt向衬底扩散而不破坏PtSe2层,而Ni则导致严重的顶层降解。为了研究厚度对器件性能的影响,我们在具有Pt/Au触点的TLM (Transfer Length Method)结构中逐渐减小了PtSe2的厚度。薄膜在1.5 nm以下保持了连续的形态和稳定的电学行为,而进一步减小导致表面粗糙度增加,空洞形成,片电阻和接触电阻显着上升。这些发现强调了接触工程和界面质量在保持薄膜完整性和优化器件性能方面的关键作用。此外,该结果为将PtSe2和相关TMDs集成到高性能电子应用中提供了可扩展的制造途径。
{"title":"Investigating Ohmic contacts in PtSe2-based electronics","authors":"M. Sojková ,&nbsp;O. Pohorelec ,&nbsp;J. Hrdá ,&nbsp;T.E. Krajčovičová ,&nbsp;A. Kozak ,&nbsp;L. Pribusová Slušná ,&nbsp;T. Ščepka ,&nbsp;M. Hulman ,&nbsp;M. Maťko ,&nbsp;V. Vretenár ,&nbsp;I. Píš ,&nbsp;F. Bondino ,&nbsp;M. Ťapajna ,&nbsp;D. Gregušová","doi":"10.1016/j.flatc.2025.100943","DOIUrl":"10.1016/j.flatc.2025.100943","url":null,"abstract":"<div><div>Transition metal dichalcogenides (TMDs) hold significant promise for next-generation electronic devices due to their unique electrical and structural properties. However, the performance of TMD-based devices is strongly influenced by the nature of the metal–semiconductor contacts. Achieving low-resistance, stable, and efficient contacts remains a key challenge and a crucial factor in fully realizing the potential of TMD materials in practical applications. In particular, platinum diselenide (PtSe<sub>2</sub>) has emerged as a compelling candidate due to its tunable electronic properties and suitability for scalable synthesis. Advanced fabrication and precise contact engineering are key to minimizing interfacial degradation and maximizing device performance.</div><div>In this study, epitaxial PtSe<sub>2</sub> layers were synthesized on c-plane sapphire, providing an ideal platform for scalable device fabrication. PtSe<sub>2</sub>-based electronic structures were fabricated by a two-resist lift-off technique combined with a one-zone chalcogenization approach.</div><div>We have focused on the systematical contact engineering investigation by evaluating nickel (Ni) and platinum (Pt) as source/drain electrodes. Electrical characterization showed a threefold reduction in Pt contact resistance as compared to Ni. Correlative scanning transmission electron microscopy (STEM) and energy-dispersive X-ray spectroscopy (EDX) confirm that Pt diffuses toward the substrate without disrupting the PtSe<sub>2</sub> layers, whereas Ni induces severe top-layer degradation.</div><div>To investigate the impact of thickness on device performance, we gradually reduced the thickness of few-layer PtSe<sub>2</sub> in Transfer Length Method (TLM) structures with Pt/Au contacts. The films maintained continuous morphology and stable electrical behavior down to 1.5 nm, while further reduction led to increased surface roughness, void formation, and a notable rise in sheet and contact resistance.</div><div>These findings highlight the critical role of contact engineering and interface quality in preserving film integrity and optimizing device performance. Moreover, the results offer a scalable fabrication pathway for integrating PtSe<sub>2</sub> and related TMDs into high-performance electronic applications.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100943"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119354","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 graphene oxide and graphene quantum dots on morphology and electronic properties of composites containing poly(p-phenylene) 氧化石墨烯和石墨烯量子点对聚对苯复合材料形貌和电子性能的影响
IF 6.2 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-11-01 Epub Date: 2025-11-15 DOI: 10.1016/j.flatc.2025.100970
Joanna Breczko , Diana M. Bobrowska , Adam Mizera , Patrycja Wilczewska , Katarzyna Gdula , Paweł Dubnicki , Sylwia Zięba , Agata Blacha-Grzechnik , Karolina H. Markiewicz , Kinga Cieciuch , Krzysztof Winkler
The study focuses on the formation of poly(p-phenylene) composites containing graphene oxide (PPP/GO) as well as graphene quantum dots (PPP/GQDs). The composite components were coupled via non-covalent interplanar π-π interactions. Due to differences in the size of the carbon components, both studied composites exhibit different morphology. In the case of PPP/GO, the polymer is deposited on the surface of the graphene sheets forming agglomerates of irregular plates. In the PPP/GQDs composite, zero-dimensional dots are uniformly distributed in polymer spheres with a diameter of approximately 45–50 nm. The presence of carbon nanoparticles in the composite also results in the significance increase in the surface area and porosity of the synthesized materials. An in-depth study of the electron structure based on computational calculations, as well as voltammetric and spectroscopic measurements, enabled a comparison of the energy gap values and the position of the HOMO and LUMO levels of PPP, PPP/GO, and PPP/GQDs. The presence of carbon nanostructures in the composite leads to the decrease of the HOMO-LUMO energy gap. The innovative results of this work confirm that the size of flat carbon nanostructures (GO vs. GQDs) significantly affects the morphology, dispersion homogeneity, and optoelectronic properties of PPP composites, which results from non-covalent π-π interactions between the components.
该研究的重点是形成含有氧化石墨烯(PPP/GO)和石墨烯量子点(PPP/GQDs)的聚(对苯)复合材料。复合组分通过非共价面间π-π相互作用耦合。由于碳组分的大小不同,两种复合材料表现出不同的形貌。在PPP/GO的情况下,聚合物沉积在石墨烯片的表面,形成不规则板的团块。在PPP/GQDs复合材料中,零维点均匀分布在直径约为45-50 nm的聚合物球中。复合材料中碳纳米颗粒的存在也导致合成材料的表面积和孔隙率显著增加。基于计算计算以及伏安和光谱测量对电子结构进行了深入研究,比较了PPP、PPP/GO和PPP/GQDs的能隙值和HOMO和LUMO能级的位置。复合材料中碳纳米结构的存在使HOMO-LUMO能隙减小。这项工作的创新结果证实,扁平碳纳米结构(GO vs. GQDs)的尺寸显著影响PPP复合材料的形态、分散均匀性和光电性能,这是由组件之间的非共价π-π相互作用造成的。
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引用次数: 0
Multicomponent nanostructured catalyst of rGO-Bi-V2O5 for photocatalytic degradation of methylene blue and supercapacitor applications rGO-Bi-V2O5多组分纳米结构催化剂在亚甲基蓝光催化降解及超级电容器中的应用
IF 6.2 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-11-01 Epub Date: 2025-10-24 DOI: 10.1016/j.flatc.2025.100962
Sahil S. Magdum , Gowthami Palanisamy , Karuppaiah Selvakumar , Sadhasivam Thangarasu , Tae Hwan Oh
The advancement of multifunctional nanomaterials aimed at environmental remediation and energy storage presents a significant challenge in the field of sustainable modern technologies. This research work represents the synthesis of a novel and well interconnected ternary nanostructure of two-dimensional layered reduced graphene oxide (rGO) with bismuth (Bi) and nanorod-like vanadium oxide (V2O5) for methylene blue (MB) degradation and supercapacitor applications. The effective photocatalyst has been identified by preparing various arrays, adjusting the Bi content, and incorporating rGO with V2O5 system as Bi-V2O5 (BiV) and rGO-Bi-V2O5 (rGBiV) catalysts. The as-developed materials were successfully verified through various sophisticated structural and microstructural analyses. The morphological investigation demonstrated that rGO are in adherence with Bi and V2O5. The utilization of Bi and rGO with V2O5 resulted in decrease in the bandgap and enhanced charge separation. The rGBiV-1 composite demonstrated remarkable photocatalytic performance, attaining a 96.72 % degradation of MB within 90 min under visible-light irradiation. The •OH radical is shown to be essential in the photodegradation process. It is significant that •O2 radical also contributed to the improvement of photocatalytic activity. Electrochemical measurements demonstrated a notable improvement in capacitive behavior, with rGBiV-1 achieving a specific capacitance of 475 F g−1. This enhancement is linked to the synergistic effects of high surface area, effective electron transport through rGO, and the presence of redox-active sites (V5+/V4+). The findings demonstrate the promise of rGO-Bi-V2O5 nanohybrids as versatile materials for combined wastewater treatment and electrochemical energy storage applications.
以环境修复和能源储存为目标的多功能纳米材料的发展是可持续现代技术领域的一个重大挑战。这项研究工作代表了一种新型的、互连良好的二维层状还原氧化石墨烯(rGO)与铋(Bi)和纳米棒状氧化钒(V2O5)的三元纳米结构的合成,用于亚甲基蓝(MB)的降解和超级电容器的应用。通过制备各种阵列、调整Bi含量、将rGO与V2O5体系结合作为Bi-V2O5 (BiV)和rGO-Bi-V2O5 (rGBiV)催化剂,确定了有效的光催化剂。通过各种复杂的结构和微观结构分析,成功地验证了所开发的材料。形态学研究表明,氧化石墨烯与Bi和V2O5具有粘附性。Bi和rGO与V2O5的使用减小了带隙,增强了电荷分离。rGBiV-1复合材料表现出优异的光催化性能,在可见光照射下,90 min内对MB的降解率达到96.72%。•OH自由基在光降解过程中是必不可少的。值得注意的是,•O2−自由基也有助于提高光催化活性。电化学测量表明,rGBiV-1的电容性能得到了显著改善,比电容达到475 F g−1。这种增强与高表面积、通过氧化石墨烯的有效电子传递和氧化还原活性位点(V5+/V4+)的存在的协同效应有关。研究结果表明,rGO-Bi-V2O5纳米杂化材料有望成为污水联合处理和电化学储能应用的通用材料。
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引用次数: 0
Electrochemical determination of Diuron in Brazilian crops: f-MWCNT@Chi-AgNPs nanocomposite-modified screen-printed electrode for food safety monitoring 巴西作物中Diuron的电化学测定:f-MWCNT@Chi-AgNPs纳米复合材料修饰的丝网印刷电极用于食品安全监测
IF 6.2 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-11-01 Epub Date: 2025-09-05 DOI: 10.1016/j.flatc.2025.100929
Adriana C. da Silva , Thiago S. da Sena , Igor G.S. Oliveira , Fausto E. Bimbi Junior , Oswaldo C. Junior , Robson S. Souto , Michael M. Baruch , João P.P. Encide , Kathia M. Honorio , Marcos R.V. Lanza , Adriana E. de Carvalho , Willyam R.P. Barros
In this study, an inexpensive, easy-to-make screen-printed electrochemical (SPE) sensor was developed and applied for diuron (DIU) detection in Brazilian crops. The SPE was modified with a hybrid nanocomposite, which consisted of functionalized carbon nanotubes, chitosan and silver nanoparticles (f-MWCNT@Chi-AgNPs). The AgNPs were obtained through a simple and rapid green synthesis using lemon leaf extract as a reducing agent. The sensor exhibits irreversible electrochemical behavior with a diffusion-controlled response. The SPE-modified sensor when applied for DIU detection, was obtained a wide linear range (0.02–50.0 μM), a low LOD (0.005 μM), and a high sensitivity. Experimental variables, such as pH and scan rate were optimized, with pH 7.0 identified as the optimal medium. The modified SPE sensor demonstrated excellent selectivity against common interferents, operational stability, and no memory effect. The DFT analysis, from the M06-2X and B3LYP functionals, and the Def2-SVP basis set, reveals that the DIU molecule is a moderate electrophile. These data suggest the SPE/f-MWCNT@Chi-AgNPs are both highly reactive and stable for DIU oxidation. Its practical applicability was confirmed through the analysis of real samples (orange fruit, orange juice, tangerine, sugarcane and tomato), where recovery rates between 100.09 and 110.61 % were obtained, with RSD below 4.0 %. The combination of conductive materials with porous structure and sustainable synthesis yielded an efficient analytical platform. The proposed sensor can be employed as a viable, rapid and effective alternative tool for monitoring pesticide residues in complex matrices, with strong potential for application in environmental and food quality analysis.
在这项研究中,开发了一种廉价,易于制作的丝网印刷电化学(SPE)传感器,并将其应用于巴西作物中的diuron (DIU)检测。采用功能化碳纳米管、壳聚糖和纳米银组成的杂化纳米复合材料(f-MWCNT@Chi-AgNPs)对固相萃取进行了改性。以柠檬叶提取物为还原剂,通过简单快速的绿色合成得到了AgNPs。该传感器具有扩散控制响应的不可逆电化学行为。该传感器具有宽线性范围(0.02 ~ 50.0 μM)、低LOD (0.005 μM)和高灵敏度的特点。对pH、扫描速率等实验变量进行优化,确定pH 7.0为最优培养基。改进后的SPE传感器对常见干扰具有良好的选择性,工作稳定,无记忆效应。从M06-2X和B3LYP官能团以及Def2-SVP基集的DFT分析表明,DIU分子是一个中等亲电试剂。这些数据表明SPE/f-MWCNT@Chi-AgNPs对DIU的氧化具有高活性和稳定性。通过对橙果、橙汁、橘子、甘蔗、番茄等实际样品的分析,证实了该方法的实用性,回收率在100.09 ~ 110.61%之间,RSD < 4.0%。具有多孔结构的导电材料和可持续合成的结合产生了一个高效的分析平台。该传感器可作为一种可行、快速、有效的替代工具,用于复杂基质中农药残留的监测,在环境和食品质量分析中具有很强的应用潜力。
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引用次数: 0
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