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Croconic acid-based compounds: synthesis, structural characteristics, properties and applications of an intriguing class of functional organic materials Croconic酸基化合物:一类有趣的功能有机材料的合成、结构特征、性能和应用
IF 5.2
Materials Advances Pub Date : 2025-03-11 DOI: 10.1039/D4MA01006J
Maria Montrone, Umberto Berardi, Antonio Cardone and Maria Annunziata M. Capozzi
{"title":"Croconic acid-based compounds: synthesis, structural characteristics, properties and applications of an intriguing class of functional organic materials","authors":"Maria Montrone, Umberto Berardi, Antonio Cardone and Maria Annunziata M. Capozzi","doi":"10.1039/D4MA01006J","DOIUrl":"https://doi.org/10.1039/D4MA01006J","url":null,"abstract":"<p >The present review springs up from the demand for an overview on the scientific advances in croconic acid-based materials and their potential technological applications. Modern technological challenges in the biomedical and energy fields share the common need for the use of environmentally friendly materials and devices that are safe for humans. Croconic acid-based compounds are an interesting class of functional organic materials of great potential since they combine intrinsic biocompatibility with chemico-physical properties that are very attractive for a number of applications, including in the bio-medical sector, <em>i.e.</em>, theranostics; energy field, <em>i.e.</em>, energy conversion, energy storage and energy saving; and sensing field. Despite the high potential, to date, only few reviews covering specific aspects such as synthesis or, mainly, biomedical applications are available in the literature, while reviews summarizing all investigations performed on this intriguing class of organic materials, from their design to application, are lacking. Through an overview of synthetic approaches, basic structural characteristics, chemico-physical properties and applications, the present review aims to extensively analyse the research advances and the role played by such functional organic materials, with the hope of stimulating new insights for future perspectives.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 9","pages":" 2753-2780"},"PeriodicalIF":5.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01006j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908465","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
MoSe2-based room temperature gas sensor with a sub-parts-per-billion limit for ammonia and N,N-dimethylformamide† 基于mose2的室温气体传感器,对氨和N,N-二甲基甲酰胺†具有十亿分之一的限制
IF 5.2
Materials Advances Pub Date : 2025-03-07 DOI: 10.1039/D4MA01169D
Virendra Singh Choudhary, Ramandeep Singh, Ashok Kumar, C. S. Yadav, Sandeep Sharma, Joel Garcia and Surender Kumar Sharma
{"title":"MoSe2-based room temperature gas sensor with a sub-parts-per-billion limit for ammonia and N,N-dimethylformamide†","authors":"Virendra Singh Choudhary, Ramandeep Singh, Ashok Kumar, C. S. Yadav, Sandeep Sharma, Joel Garcia and Surender Kumar Sharma","doi":"10.1039/D4MA01169D","DOIUrl":"https://doi.org/10.1039/D4MA01169D","url":null,"abstract":"<p >A limit of detection of toxic gases at the level of ppb is critical for industrial safety. Here, we designed a room temperature MoSe<small><sub>2</sub></small>-based sensor for dual detection of ammonia (NH<small><sub>3</sub></small>) and <em>N</em>,<em>N</em>-dimethylformamide (DMF). The MoSe<small><sub>2</sub></small>/TiO<small><sub>2</sub></small> composite exhibits a rapid and highly selective response to both NH<small><sub>3</sub></small> and DMF compared to other industrial analytes. The MoSe<small><sub>2</sub></small>/TiO<small><sub>2</sub></small> heterostructures exhibit a band gap of 0.31 eV, highlighting their electronic structure, adsorption energy, and fundamental gas sensing mechanism. NH<small><sub>3</sub></small> and DMF demonstrated robust spontaneous adsorption on the below-MoSe<small><sub>2</sub></small> surface, exhibiting the lowest adsorption energy (−0.12 eV) and (−0.09 eV) of NH<small><sub>3</sub></small> and DMF, respectively. Bader charge analysis revealed charge transfer from the gas molecule to the heterostructure surface, enhancing its conductivity and gas detection sensitivity. The adsorption of NH<small><sub>3</sub></small> on the MoSe<small><sub>2</sub></small> site is exothermic whereas on the TiO<small><sub>2</sub></small> side it is endothermic, indicating the potential of MoSe<small><sub>2</sub></small>/TiO<small><sub>2</sub></small> composites for efficient room-temperature gas sensing. The sensor achieved an 85% higher response to NH<small><sub>3</sub></small> and an 80% higher response to DMF, with density functional theory (DFT) simulations confirming a high negative adsorption energy. Detection limits were calculated at 4.91 ppb for NH<small><sub>3</sub></small> and 7.82 ppb for DMF under 40% relative humidity, with robust sensitivity across varying humidity levels. Response times were reasonably stable, with NH<small><sub>3</sub></small> detection at 150 s and recovery in 37–110 s, while DMF was detected in 150–160 s and recovered in 45–74 s. This study highlights the potential of the MoSe<small><sub>2</sub></small>/TiO<small><sub>2</sub></small> composite in real-time, room-temperature monitoring of both NH<small><sub>3</sub></small> and DMF, making it a valuable tool for industrial safety and environmental monitoring without the need for external recovery mechanisms.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 9","pages":" 2854-2866"},"PeriodicalIF":5.2,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01169d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908455","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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