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Efficient advanced reduction with cobalt phthalocyanine-decorated N-doped mesoporous carbon† 使用酞菁钴装饰的掺杂 N 介孔碳实现高效高级还原
IF 5.2
Materials Advances Pub Date : 2025-03-11 DOI: 10.1039/D4MA01129E
Mengjiao Xu, Kaizhi Wang, Wendi Guo, Zehui Sun, Mugeng Chen, Yongmei Liu and Yong Cao
{"title":"Efficient advanced reduction with cobalt phthalocyanine-decorated N-doped mesoporous carbon†","authors":"Mengjiao Xu, Kaizhi Wang, Wendi Guo, Zehui Sun, Mugeng Chen, Yongmei Liu and Yong Cao","doi":"10.1039/D4MA01129E","DOIUrl":"https://doi.org/10.1039/D4MA01129E","url":null,"abstract":"<p >Effective removal of environmental pollutants relies heavily on advanced reduction processes (ARPs), and developing effective and low cost catalysts is pivotal. Herein, it is demonstrated that cobalt phthalocyanine (CoPc) adsorbed on nitrogen-doped mesoporous carbon (NMC) can serve as an efficient catalyst for ARPs. The CoPc-NMC composite stands out for its remarkable ability to reduce hexavalent Cr(<small>VI</small>) using formic acid as the reducing agent. This exceptional performance is attributed to the distinct characteristics of the composite, including atomically dispersed CoPc and strong π–π interactions with the rich pyridinic N-doped carbon support. It also reveals the complex involvement of active species, such as electrons and hydrogen radicals, which clarifies the mechanism behind this catalytic process. Ultimately, this study not only sheds light on the factors that influence the catalytic activity of CoPc-NMC but also offers critical insights into developing more efficient strategies for Cr(<small>VI</small>) reduction in environmental applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 7","pages":" 2397-2404"},"PeriodicalIF":5.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01129e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740445","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A carbazole-based fully conjugated sp2c D–A covalent organic polymer for visible light mediated photocatalytic degradation of rhodamine B and Rose Bengal† 一种基于咔唑的全共轭sp2c D-A共价有机聚合物,用于可见光介导的罗丹明B和玫瑰花†的光催化降解
IF 5.2
Materials Advances Pub Date : 2025-03-11 DOI: 10.1039/D4MA01164C
Kamal Verma and K. R. Justin Thomas
{"title":"A carbazole-based fully conjugated sp2c D–A covalent organic polymer for visible light mediated photocatalytic degradation of rhodamine B and Rose Bengal†","authors":"Kamal Verma and K. R. Justin Thomas","doi":"10.1039/D4MA01164C","DOIUrl":"https://doi.org/10.1039/D4MA01164C","url":null,"abstract":"<p >Two-dimensional covalent organic materials have great potential as photocatalysts, but for practical application, they have some limitations like scalability and stability. Nevertheless, ongoing research efforts aim to address these challenges and unlock their full potential for sustainable photocatalysis. In this study, we have developed sp<small><sup>2</sup></small> carbon-linked and imine-linked 2D donor–acceptor CzTA-PDAN and CzTA-PDA COPs. Notably, the sp<small><sup>2</sup></small> carbon-linked CzTA-PDAN COP demonstrates superior charge separation, rapid photocurrent response, and excellent chemical stability compared to the imine-linked CzTA-PDA COP, owing to its fully conjugated robust structure. The band gap calculated from the Kubelka–Munk plot was 2.30 eV and 2.53 eV, respectively, which resulted in the sp<small><sup>2</sup></small>c CzTA-PDAN COP having a higher electron carrier transport efficiency. Leveraging its favorable photo and optoelectronic properties, we employed the CzTA-PDAN COP for the photocatalytic degradation of organic toxic dyes, rhodamine B and Rose Bengal, under 18 W white CFL illumination for 80 minutes and 390 minutes, respectively. Additionally, the sp<small><sup>2</sup></small> carbon-linked CzTA-PDAN COP exhibited exceptional degradation performance even under sunlight, achieving complete degradation of the RhB dye within 60 minutes of irradiation. This highlights the practical applicability and versatility of the CzTA-PDAN COP in environmental remediation scenarios. By harnessing the unique properties of COPs, such as those demonstrated by the sp<small><sup>2</sup></small> carbon-linked CzTA-PDAN COP, we can pave the way for their widespread adoption in sustainable photocatalysis applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 8","pages":" 2521-2529"},"PeriodicalIF":5.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01164c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Engineered flexible microsupercapacitors with MOF-derived Co3O4/rGO nanocomposite optimized via response surface methodology for enhanced energy storage† 基于响应面法优化的基于mof衍生Co3O4/rGO纳米复合材料的柔性微超级电容器,用于增强能量存储†
IF 5.2
Materials Advances Pub Date : 2025-03-10 DOI: 10.1039/D4MA01126K
Mohammad Saquib, Shilpa Shetty, S. G. Siddanth, Nagaraja Nayak, Chandra Sekhar Rout, Ramakrishna Nayak, Ahipa T. N. and M. Selvakumar
{"title":"Engineered flexible microsupercapacitors with MOF-derived Co3O4/rGO nanocomposite optimized via response surface methodology for enhanced energy storage†","authors":"Mohammad Saquib, Shilpa Shetty, S. G. Siddanth, Nagaraja Nayak, Chandra Sekhar Rout, Ramakrishna Nayak, Ahipa T. N. and M. Selvakumar","doi":"10.1039/D4MA01126K","DOIUrl":"https://doi.org/10.1039/D4MA01126K","url":null,"abstract":"<p >A promising microsupercapacitor design was achieved by printing conductive ink composed of porous Co<small><sub>3</sub></small>O<small><sub>4</sub></small> nanoparticles derived from ZIF-67 with <em>in situ</em> reduced graphene oxide (rGO) growth <em>via</em> thermal reduction. The symmetric micro-supercapacitor achieved an areal capacitance of 939 mF cm<small><sup>−2</sup></small>, an energy density of 130.4 μW h cm<small><sup>−2</sup></small>, and a power density of 2134 mW cm<small><sup>−2</sup></small>, optimized <em>via</em> response surface methodology (RSM), with peak performance at 550 °C and a composite desirability of 86.48%. Additionally, it demonstrated exceptional cyclic stability, retaining 91.7% of its initial capacitance after 10 000 cycles of charge and discharge. The asymmetric device demonstrated even higher performance, with an areal capacitance of 1220.2 mF cm<small><sup>−2</sup></small>, an energy density of 343.51 μW h cm<small><sup>−2</sup></small>, and a power density of 3876.6 mW cm<small><sup>−2</sup></small>, Similarly, the Co<small><sub>3</sub></small>O<small><sub>4</sub></small>/rGO-550 microsupercapacitor demonstrated 94.6% cycling stability even after 10 000 charge–discharge cycles, highlighting its durability and long-term performance.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 7","pages":" 2211-2230"},"PeriodicalIF":5.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01126k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740612","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis of gold nanoparticles using Eutrema japonicum (Wasabi): antioxidant and anti-inflammatory studies† 利用山葵合成金纳米颗粒:抗氧化和抗炎研究†
IF 5.2
Materials Advances Pub Date : 2025-03-10 DOI: 10.1039/D5MA00065C
Christian Nanga Chick, Mahiro Takano, Francois Eya'ane Meva and Toyonobu Usuki
{"title":"Synthesis of gold nanoparticles using Eutrema japonicum (Wasabi): antioxidant and anti-inflammatory studies†","authors":"Christian Nanga Chick, Mahiro Takano, Francois Eya'ane Meva and Toyonobu Usuki","doi":"10.1039/D5MA00065C","DOIUrl":"https://doi.org/10.1039/D5MA00065C","url":null,"abstract":"<p >In this study, gold nanoparticles with <em>Eutrema japonicum</em> (AuNPs-E.j.) were synthesized using the butylene glycol extract of the plant's grated stem and Au(<small>III</small>) chloride trihydrate solution. The primary characterization of synthesized AuNPs-E.j. using a UV-Vis spectrometer indicated the presence of a surface plasmon resonance band between 500 and 600 nm, indicating the reduction of Au(<small>III</small>) to Au(0). Infrared spectroscopy revealed the existence of C–O, OH, C–H, C<img>O, and C–C vibrations or stretching along with aliphatic hydrocarbon chains of as-synthesized AuNP-E.j. Dynamic light scattering indicated an average particle size of 35.94 nm and a zeta potential value of 3.53 mV. AuNPs-E.j. reduced 1,1-diphenyl-2-picryhydrazyl and phosphomolybdenum radicals, with ascorbic acid equivalent antioxidant capacity of 1.08 and 24.63 mg/100 mL, respectively. In addition, the albumin denaturation inhibitory activity of AuNPs-E.j. was equivalent to a percentage inhibition value of the standard drug (diclofenac) value (0.36 mg/100 mL). This study confirmed that AuNPs-E.j. have the potential as a therapeutic agent for treating oxidative stress, inflammatory problems and related diseases.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 7","pages":" 2365-2370"},"PeriodicalIF":5.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00065c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740372","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Magnetoelastic coupling in the stretched diamond lattice of TbTaO4† TbTaO4†拉伸金刚石晶格中的磁弹性耦合
IF 5.2
Materials Advances Pub Date : 2025-03-10 DOI: 10.1039/D4MA01156B
Xiaotian Zhang, Nicola D. Kelly, Denis Sheptyakov, Cheng Liu, Shiyu Deng, Siddharth S. Saxena and Siân E. Dutton
{"title":"Magnetoelastic coupling in the stretched diamond lattice of TbTaO4†","authors":"Xiaotian Zhang, Nicola D. Kelly, Denis Sheptyakov, Cheng Liu, Shiyu Deng, Siddharth S. Saxena and Siân E. Dutton","doi":"10.1039/D4MA01156B","DOIUrl":"https://doi.org/10.1039/D4MA01156B","url":null,"abstract":"<p >The magnetic structure of diamond-like lattice has been studied extensively in terms of the magnetic frustration. Here we report the distortion of stretched diamond lattice of Tb<small><sup>3+</sup></small> (4f<small><sup>8</sup></small>) in M–TbTaO<small><sub>4</sub></small> on application of a magnetic field. We have investigated the structural and magnetic properties of M phase terbium tantalate M–TbTaO<small><sub>4</sub></small> as a function of temperature and magnetic field using magnetometry and powder neutron diffraction. Sharp <em>λ</em>-shape transitions in d(<em>χT</em>)/d<em>T</em>, d<em>M</em>/d<em>H</em> and specific heat data confirm the previously reported three-dimensional (3D) antiferromagnetic ordering at <em>T</em><small><sub>N</sub></small> ∼ 2.25 K. On application of a magnetic field the Néel temperature is found to decrease and variable field neutron diffraction experiments below <em>T</em><small><sub>N</sub></small> at 1.6 K show an increase in both the bond and angle distortion of the stretched diamond lattice with magnetic field, indicating a potential magneto-elastic coupling effect. By combining our magnetometry, heat capacity and neutron diffraction results we generate a magnetic phase diagram for M–TbTaO<small><sub>4</sub></small> as a function of temperature and field.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 8","pages":" 2570-2578"},"PeriodicalIF":5.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01156b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent advances in polymer nanoencapsulation of essential oils for multi-functional textile finishing 高分子纳米包封精油在多功能纺织品整理中的研究进展
IF 5.2
Materials Advances Pub Date : 2025-03-10 DOI: 10.1039/D4MA01285B
Sumera Naz, Sana Javaid, Shafi Ur Rehman and Humair Razzaq
{"title":"Recent advances in polymer nanoencapsulation of essential oils for multi-functional textile finishing","authors":"Sumera Naz, Sana Javaid, Shafi Ur Rehman and Humair Razzaq","doi":"10.1039/D4MA01285B","DOIUrl":"https://doi.org/10.1039/D4MA01285B","url":null,"abstract":"<p >Textile finishing is on the cusp of transformative change with the integration of the nanoencapsulation technique. Nanoencapsulation serves as a promising tool for incorporating therapeutic properties into various substrates, including textiles. Essential oils (EOs) are complex, heterogeneous, volatile and semi-volatile organic compounds with a broad range of biomedical applications, such as antimicrobial, antioxidant, anti-inflammatory and anticancer properties. However, essential oils are naturally biologically unstable and volatile, which limit their practical applicability. Nanoencapsulation acts as a barrier, providing physiochemical stability in natural environments. This review systematically explores various essential oils encapsulated in polymeric shells for the slow and sustained release of therapeutic agents functionalized on textiles for antimicrobial, insect repellent and skin care applications. Thus, it presents nanoencapsulation as a promising field in textile finishing and coating for potential biomedical and industrial applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 8","pages":" 2460-2476"},"PeriodicalIF":5.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01285b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830607","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A reusable BTO-based composite film for safe and convenient tooth whitening† 可重复使用的bto基复合膜,安全方便的牙齿美白†
IF 5.2
Materials Advances Pub Date : 2025-03-10 DOI: 10.1039/D4MA01293C
Sihan Wang, Yang Zhou, Yunan Zhang, Zhongyi Yan, Liping Chen and Ling Guo
{"title":"A reusable BTO-based composite film for safe and convenient tooth whitening†","authors":"Sihan Wang, Yang Zhou, Yunan Zhang, Zhongyi Yan, Liping Chen and Ling Guo","doi":"10.1039/D4MA01293C","DOIUrl":"https://doi.org/10.1039/D4MA01293C","url":null,"abstract":"<p >Dental surface staining is the most common problem in oral health care. The current mainstream treatment is still bleaching with high concentrations of hydrogen peroxide, which will not only cause enamel damage and tooth sensitivity but may also lead to periodontal soft tissue stimulation. Here, we have prepared a barium titanate (BTO)-based composite film doped with graphite (C) particles, which can gently and continuously produce hydroxyl radicals (˙OH) and superoxide anions (˙O<small><sub>2</sub></small><small><sup>−</sup></small>) through the piezoelectric catalysis and thermal catalysis induced by the oral chewing movement and temperature changes. This composite film can replace the reactive oxygen species produced by hydrogen peroxide, destroying the conjugated double bonds of the stained macromolecules, degrading the dye macromolecules into light compounds, and finally achieving tooth whitening, but without causing damage to tooth enamel and cells. In the future, this BTO-based composite film may become a promising strategy for oral health care.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 7","pages":" 2231-2242"},"PeriodicalIF":5.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01293c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740613","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dopamine detection using leaf-shaped ZnO synthesized from zinc shells of recycled batteries 利用回收电池锌壳合成的叶状ZnO检测多巴胺
IF 5.2
Materials Advances Pub Date : 2025-03-10 DOI: 10.1039/D5MA00001G
Md Yeasin Pabel, Md Humayun Kabir, Md. Sanwar Hossain, Fahima Mojumder, Sourav Datta, Muhammad Shahriar Bashar and Sabina Yasmin
{"title":"Dopamine detection using leaf-shaped ZnO synthesized from zinc shells of recycled batteries","authors":"Md Yeasin Pabel, Md Humayun Kabir, Md. Sanwar Hossain, Fahima Mojumder, Sourav Datta, Muhammad Shahriar Bashar and Sabina Yasmin","doi":"10.1039/D5MA00001G","DOIUrl":"https://doi.org/10.1039/D5MA00001G","url":null,"abstract":"<p >This study presents a cost-effective and sustainable method for synthesizing ZnO from electronic waste (e-waste) for the electrochemical detection of dopamine (DA) using a single metal oxide. The purity and various properties of the ZnO were confirmed using advanced techniques. The growth of ZnO clusters along the [0001] direction results in the formation of leaf-shaped ZnO with a direct band gap of 3.27 eV. Cyclic voltammetry, differential pulse voltammetry, and amperometric studies demonstrated successful DA detection at the ZnO–glassy carbon electrode in aqueous media, with an equal number of electron and proton pathways for DA oxidation. The sensor exhibited a linear response over a wide concentration range (0.01 to 100 μM), with a low limit of detection of 0.47 nM and a high sensitivity of 0.0389 A M<small><sup>−1</sup></small>. Additionally, the sensor showed high selectivity, repeatability and reproducibility with relative standard deviation of 4.80% in DA detection and proved effective in real sample analysis. These results suggest that the developed sensor holds great potential as a sensitive, practical, and cost-efficient tool for DA monitoring. Furthermore, the approach contributes to sustainable management of zinc–carbon battery waste by producing valuable ZnO.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 7","pages":" 2243-2252"},"PeriodicalIF":5.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00001g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Harnessing the power of copper-based metal–organic framework (HKUST-1) nanostructures for advanced wound healing 利用铜基金属有机框架(HKUST-1)纳米结构的力量进行高级伤口愈合
IF 5.2
Materials Advances Pub Date : 2025-03-07 DOI: 10.1039/D4MA01220H
Dorsa Davoodian, Shirin Khaleghnia Rashkhar and Ali Es-haghi
{"title":"Harnessing the power of copper-based metal–organic framework (HKUST-1) nanostructures for advanced wound healing","authors":"Dorsa Davoodian, Shirin Khaleghnia Rashkhar and Ali Es-haghi","doi":"10.1039/D4MA01220H","DOIUrl":"https://doi.org/10.1039/D4MA01220H","url":null,"abstract":"<p >This review explores the potential of copper-based metal–organic frameworks (MOFs), particularly HKUST-1 (Hong Kong University of Science and Technology-1), as an innovative solution for advanced wound healing. Wound healing is a multifaceted process involving antimicrobial defense, inflammation control, and tissue regeneration, areas where copper ions play a vital role. HKUST-1, a porous, crystalline MOF with copper as its core component, offers unique structural properties that enhance its utility in biomedical applications. This review delves into the biocompatibility of HKUST-1, its ability to release copper ions in a controlled manner, and its antimicrobial and pro-regenerative effects on wound healing. We further analyze the potential benefits of incorporating HKUST-1 into wound care products, such as dressings, gels, and drug delivery systems, while also addressing challenges like stability under physiological conditions, potential toxicity, and scalability issues. Finally, this review discusses the prospects for translating HKUST-1-based nanostructures into clinical practice, aiming for improved patient outcomes and faster wound healing.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 8","pages":" 2477-2502"},"PeriodicalIF":5.2,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01220h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
2D monolayer molybdenum(iv) telluride TMD: an efficient electrocatalyst for the hydrogen evolution reaction† 二维单层碲化钼TMD:析氢反应的高效电催化剂
IF 5.2
Materials Advances Pub Date : 2025-03-07 DOI: 10.1039/D4MA00892H
Vikash Kumar and Srimanta Pakhira
{"title":"2D monolayer molybdenum(iv) telluride TMD: an efficient electrocatalyst for the hydrogen evolution reaction†","authors":"Vikash Kumar and Srimanta Pakhira","doi":"10.1039/D4MA00892H","DOIUrl":"https://doi.org/10.1039/D4MA00892H","url":null,"abstract":"<p >An electrocatalyst is needed to efficiently lower the reaction barriers to produce hydrogen through the H<small><sub>2</sub></small> evolution reaction (HER). Recently, two-dimensional transition metal dichalcogenides (2D TMDs), such as the pure 2D monolayer MoTe<small><sub>2</sub></small>, MoS<small><sub>2</sub></small>, WS<small><sub>2</sub></small>, <em>etc.</em> TMDs, have become attractive materials for the HER. Using the first principles-based hybrid density functional theory (DFT) method, we have computationally designed a pure 2D monolayer MoTe<small><sub>2</sub></small> TMD and examined its structural and electronic properties with electrocatalytic efficacy towards the HER. A non-periodic finite molecular cluster model Mo<small><sub>10</sub></small>Te<small><sub>21</sub></small> system has been employed to explore the feasibility of both the Volmer–Heyrovsky (V–H) and Volmer–Tafel (V–T) reaction mechanisms for the HER. The solvent-phase calculations demonstrate that this material can effectively undergo either V–H or V–T reaction pathways. This conclusion is supported by our determination of low reaction barriers for the H*-migration, Heyrovsky, and Tafel transition states (TSs), which were found to be approximately 9.80, 12.55, and 5.29 kcal mol<small><sup>−1</sup></small>, respectively. These results highlight the potential utility of 2D monolayer MoTe<small><sub>2</sub></small> TMD as a promising electrocatalyst for the HER. The unusual electrocatalytic activity of the pristine 2D monolayer MoTe<small><sub>2</sub></small> TMD is evidenced by its ability to significantly reduce reaction barriers, achieving impressive turnover frequency (TOF) values of 3.91 × 10<small><sup>3</sup></small> and 8.22 × 10<small><sup>8</sup></small> s<small><sup>−1</sup></small> during the Heyrovsky and Tafel reaction steps, respectively. Additionally, it demonstrates a remarkably low Tafel slope of 29.58 mV dec<small><sup>−1</sup></small>. These outstanding performance metrics indicate that the pure 2D monolayer MoTe<small><sub>2</sub></small> TMD is a highly efficient electrocatalyst for the HER, surpassing the capabilities of traditional platinum group metal-based alternatives. Further exploration of its potential applications in electrocatalysis is warranted. The present work provides valuable insights into the atomic modulation of active sites for enhanced electrocatalytic performance towards the HER, paving the way for designing advanced non-noble metal-free electrocatalysts.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 8","pages":" 2622-2635"},"PeriodicalIF":5.2,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma00892h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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