Hmida Slimani, Abdechafik El Harrak, Ayoub El Karch, Saad Rmail, Hanane Ait Ousaleh and Abdessamad Faik
Layered double hydroxides (LDHs) are a structurally versatile class of materials, yet their potential for thermochemical energy storage (TCES) has remained unexplored. In this work, we present the first demonstration of LDHs as thermochemical storage materials operating through reversible hydration/dehydration reactions. The intrinsic structural flexibility of LDHs, composed of alternating layers of mixed divalent and trivalent cations charge-balanced by interlayer anions, may enable fine control over reaction thermodynamics and energy density. Among various cation/anion combinations, Mg/Al-LDH was synthesized and systematically evaluated as a reference material. Comprehensive structural (XRD, Raman, and Al-NMR) and thermal analyses (TGA, DSC, STA-water vapor) revealed good short-term cyclability for at least 40 cycles, with the material exhibiting a pronounced memory effect (reversibility) with an energy density of 532.4 J g−1. These findings establish that layered double hydroxides could establish a promising family of materials for an extended range of temperature conditions in thermochemical heat storage.
层状双氢氧化物(LDHs)是一种结构多样的材料,但其在热化学储能(TCES)方面的潜力尚未得到充分开发。在这项工作中,我们首次展示了LDHs作为热化学储存材料通过可逆水合/脱水反应运作。由层间阴离子平衡的二价和三价混合阳离子交替层组成的LDHs具有固有的结构灵活性,可以很好地控制反应热力学和能量密度。在多种阳离子/阴离子组合中合成了Mg/Al-LDH,并对其作为标准物质进行了系统评价。综合结构分析(XRD, Raman, Al-NMR)和热分析(TGA, DSC, sta -水蒸气)表明,该材料具有至少40个循环的良好短期可循环性,具有明显的记忆效应(可逆性),能量密度为532.4 J g−1。这些发现表明,层状双氢氧化物可以在热化学储热的广泛温度条件下建立一个有前途的材料家族。
{"title":"Temperature controlled reversible hydration/dehydration reactions in MgAl-layered double hydroxides for thermochemical energy storage","authors":"Hmida Slimani, Abdechafik El Harrak, Ayoub El Karch, Saad Rmail, Hanane Ait Ousaleh and Abdessamad Faik","doi":"10.1039/D5SE01693B","DOIUrl":"https://doi.org/10.1039/D5SE01693B","url":null,"abstract":"<p >Layered double hydroxides (LDHs) are a structurally versatile class of materials, yet their potential for thermochemical energy storage (TCES) has remained unexplored. In this work, we present the first demonstration of LDHs as thermochemical storage materials operating through reversible hydration/dehydration reactions. The intrinsic structural flexibility of LDHs, composed of alternating layers of mixed divalent and trivalent cations charge-balanced by interlayer anions, may enable fine control over reaction thermodynamics and energy density. Among various cation/anion combinations, Mg/Al-LDH was synthesized and systematically evaluated as a reference material. Comprehensive structural (XRD, Raman, and Al-NMR) and thermal analyses (TGA, DSC, STA-water vapor) revealed good short-term cyclability for at least 40 cycles, with the material exhibiting a pronounced memory effect (reversibility) with an energy density of 532.4 J g<small><sup>−1</sup></small>. These findings establish that layered double hydroxides could establish a promising family of materials for an extended range of temperature conditions in thermochemical heat storage.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 8","pages":" 1981-1996"},"PeriodicalIF":4.1,"publicationDate":"2026-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147727283","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}
Matheus O. de Souza, Thais C. Batista, Debora N. Santos, Deborah V. A. de Aguiar, Boniek G. Vaz, Maurício A. Kasburg, Carlos A. Correia, Marcelo M. Pereira and Leandro S. M. Miranda
The intensive use of fossil feedstocks has raised numerous concerns regarding their environmental impact. As of 2023, renewable energy including modern biofuels, traditional biomass, and other sources accounted for only 8% of global final energy consumption. Recently, our research group developed a novel methodology to convert second-generation biomass into a liquid product, which is a viscous, brown oil composed primarily of carbohydrate-derived O-isopropylidene ketals (CKs), with mono- and di-isopropylidene derivatives of glucose and xylose, called bio-petroleum (BP). Given the successful proof of concept for the direct conversion of BP into green hydrocarbons within refinery processes, the present study seeks to evaluate the capacity of various lignocellulosic biomasses to yield BP. The results presented in this study demonstrate that various lignocellulosic biomasses can be effectively converted into BP enriched in carbohydrate-derived isopropylidene ketals through hydrolysis–ketalization reactions under mild processing conditions. Up to 50% of the original biomass carbohydrate content was recovered in the form of monosaccharide diisopropylidene ketals in a sequence where hemicellulose is first removed, followed by amorphous cellulose, and finally crystalline cellulose. This progression enables temperature-controlled tailoring of BP composition, offering a means of modulating the performance of BPs in refinery downstream upgrading processes for fuel production.
{"title":"Ketal-rich bio-petroleum from lignocellulosic biomass: a tunable feedstock for green hydrocarbon production under refinery conditions","authors":"Matheus O. de Souza, Thais C. Batista, Debora N. Santos, Deborah V. A. de Aguiar, Boniek G. Vaz, Maurício A. Kasburg, Carlos A. Correia, Marcelo M. Pereira and Leandro S. M. Miranda","doi":"10.1039/D5SE01403D","DOIUrl":"https://doi.org/10.1039/D5SE01403D","url":null,"abstract":"<p >The intensive use of fossil feedstocks has raised numerous concerns regarding their environmental impact. As of 2023, renewable energy including modern biofuels, traditional biomass, and other sources accounted for only 8% of global final energy consumption. Recently, our research group developed a novel methodology to convert second-generation biomass into a liquid product, which is a viscous, brown oil composed primarily of carbohydrate-derived <em>O</em>-isopropylidene ketals (CKs), with mono- and di-isopropylidene derivatives of glucose and xylose, called bio-petroleum (BP). Given the successful proof of concept for the direct conversion of BP into green hydrocarbons within refinery processes, the present study seeks to evaluate the capacity of various lignocellulosic biomasses to yield BP. The results presented in this study demonstrate that various lignocellulosic biomasses can be effectively converted into BP enriched in carbohydrate-derived isopropylidene ketals through hydrolysis–ketalization reactions under mild processing conditions. Up to 50% of the original biomass carbohydrate content was recovered in the form of monosaccharide diisopropylidene ketals in a sequence where hemicellulose is first removed, followed by amorphous cellulose, and finally crystalline cellulose. This progression enables temperature-controlled tailoring of BP composition, offering a means of modulating the performance of BPs in refinery downstream upgrading processes for fuel production.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1787-1799"},"PeriodicalIF":4.1,"publicationDate":"2026-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147579116","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}
<p >Ternary mixed metal hydroxide/oxyhydroxide nanomaterials are an interesting class of pseudocapacitive electrode materials for supercapacitor applications, yet the influence of compositional variation on their electrochemical performance remains underexplored. In this work, a series of Mn–Co–Cu hydroxides/oxyhydroxides (marked as MnCoCu–<em>x</em> : <em>y</em> : <em>z</em>, with <em>x</em> : <em>y</em> : <em>z</em> = 1 : 1 : 1, 3 : 1 : 1, 5 : 1 : 1, 1 : 3 : 1, 1 : 5 : 1, 1 : 7 : 1, 1 : 9 : 1, 1 : 1 : 3, and 1 : 1 : 5, corresponding to Mn<small><sup>2+</sup></small> : Co<small><sup>2+</sup></small> : Cu<small><sup>2+</sup></small> molar ratios) were synthesized <em>via</em> a simple co-precipitation method, along with the respective monometallic hydroxides or oxyhydroxides, MnO(OH), CoO(OH), and Cu(OH)<small><sub>2</sub></small>, and selected bimetallic counterparts, MnCo–2 : 5 and CuCo–2 : 5. Examination of three-electrode supercapacitor performance of the as-prepared materials using 3 M KOH at 1 A g<small><sup>−1</sup></small> revealed the superior specific capacitance of MnCoCu–1 : 5 : 1 (1684 F g<small><sup>−1</sup></small>) compared to the other materials, which followed the trend MnCoCu–1 : 1 : 5 (299 F g<small><sup>−1</sup></small>) < MnCoCu–3 : 1 : 1 (404 F g<small><sup>−1</sup></small>) < Cu(OH)<small><sub>2</sub></small> (477 F g<small><sup>−1</sup></small>) < MnO(OH) (509 F g<small><sup>−1</sup></small>) < MnCoCu–1 : 9 : 1 (608 F g<small><sup>−1</sup></small>) < CoO(OH) (651 F g<small><sup>−1</sup></small>) < MnCoCu–1 : 1 : 3 (683 F g<small><sup>−1</sup></small>) < MnCoCu–5 : 1 : 1 (684 F g<small><sup>−1</sup></small>) < CuCo–2 : 5 (828 F g<small><sup>−1</sup></small>) < MnCoCu–1 : 1 : 1 (1084 F g<small><sup>−1</sup></small>) < MnCoCu–1 : 3 : 1 (1124 F g<small><sup>−1</sup></small>) < MnCoCu–1 : 7 : 1 (1204 F g<small><sup>−1</sup></small>) < MnCo–2 : 5 (1321 F g<small><sup>−1</sup></small>) – highlighting the significant synergistic effect of constituent metal hydroxides/oxyhydroxides in the as-prepared materials and underscoring the pivotal role of compositional tuning in enhancing the energy storage performance. Furthermore, the optimized MnCoCu–1 : 5 : 1 composite in a two-electrode asymmetric supercapacitor configuration demonstrated an appreciable energy storage performance, delivering a specific capacitance of 224 F g<small><sup>−1</sup></small>, an energy density of 60.8 Wh kg<small><sup>−1</sup></small>, and a power density of 280 W kg<small><sup>−1</sup></small> at 0.4 A g<small><sup>−1</sup></small>. Moreover, this composition exhibited appreciable long-term cycling stability, retaining 90% of its initial capacitance and displaying a 92% coulombic efficiency up to 5000 charge–discharge cycles at 5 A g<small><sup>−1</sup></small>. The superior electrochemical performance of MnCoCu–1 : 5 : 1 can be attributed to its optimal composition, offering favorable structural and electrical propertie
{"title":"Engineering Mn–Co–Cu hydroxide/oxyhydroxide electrode materials: rational composition optimization for enhanced supercapacitor performance","authors":"Venkatesan Gowsalya, Sankar Sarathkumar, Raji Yuvaraja, Sorna Pandian Anitha Juliet, Selvakumar Veeralakshmi and Selvan Nehru","doi":"10.1039/D5SE01198A","DOIUrl":"https://doi.org/10.1039/D5SE01198A","url":null,"abstract":"<p >Ternary mixed metal hydroxide/oxyhydroxide nanomaterials are an interesting class of pseudocapacitive electrode materials for supercapacitor applications, yet the influence of compositional variation on their electrochemical performance remains underexplored. In this work, a series of Mn–Co–Cu hydroxides/oxyhydroxides (marked as MnCoCu–<em>x</em> : <em>y</em> : <em>z</em>, with <em>x</em> : <em>y</em> : <em>z</em> = 1 : 1 : 1, 3 : 1 : 1, 5 : 1 : 1, 1 : 3 : 1, 1 : 5 : 1, 1 : 7 : 1, 1 : 9 : 1, 1 : 1 : 3, and 1 : 1 : 5, corresponding to Mn<small><sup>2+</sup></small> : Co<small><sup>2+</sup></small> : Cu<small><sup>2+</sup></small> molar ratios) were synthesized <em>via</em> a simple co-precipitation method, along with the respective monometallic hydroxides or oxyhydroxides, MnO(OH), CoO(OH), and Cu(OH)<small><sub>2</sub></small>, and selected bimetallic counterparts, MnCo–2 : 5 and CuCo–2 : 5. Examination of three-electrode supercapacitor performance of the as-prepared materials using 3 M KOH at 1 A g<small><sup>−1</sup></small> revealed the superior specific capacitance of MnCoCu–1 : 5 : 1 (1684 F g<small><sup>−1</sup></small>) compared to the other materials, which followed the trend MnCoCu–1 : 1 : 5 (299 F g<small><sup>−1</sup></small>) < MnCoCu–3 : 1 : 1 (404 F g<small><sup>−1</sup></small>) < Cu(OH)<small><sub>2</sub></small> (477 F g<small><sup>−1</sup></small>) < MnO(OH) (509 F g<small><sup>−1</sup></small>) < MnCoCu–1 : 9 : 1 (608 F g<small><sup>−1</sup></small>) < CoO(OH) (651 F g<small><sup>−1</sup></small>) < MnCoCu–1 : 1 : 3 (683 F g<small><sup>−1</sup></small>) < MnCoCu–5 : 1 : 1 (684 F g<small><sup>−1</sup></small>) < CuCo–2 : 5 (828 F g<small><sup>−1</sup></small>) < MnCoCu–1 : 1 : 1 (1084 F g<small><sup>−1</sup></small>) < MnCoCu–1 : 3 : 1 (1124 F g<small><sup>−1</sup></small>) < MnCoCu–1 : 7 : 1 (1204 F g<small><sup>−1</sup></small>) < MnCo–2 : 5 (1321 F g<small><sup>−1</sup></small>) – highlighting the significant synergistic effect of constituent metal hydroxides/oxyhydroxides in the as-prepared materials and underscoring the pivotal role of compositional tuning in enhancing the energy storage performance. Furthermore, the optimized MnCoCu–1 : 5 : 1 composite in a two-electrode asymmetric supercapacitor configuration demonstrated an appreciable energy storage performance, delivering a specific capacitance of 224 F g<small><sup>−1</sup></small>, an energy density of 60.8 Wh kg<small><sup>−1</sup></small>, and a power density of 280 W kg<small><sup>−1</sup></small> at 0.4 A g<small><sup>−1</sup></small>. Moreover, this composition exhibited appreciable long-term cycling stability, retaining 90% of its initial capacitance and displaying a 92% coulombic efficiency up to 5000 charge–discharge cycles at 5 A g<small><sup>−1</sup></small>. The superior electrochemical performance of MnCoCu–1 : 5 : 1 can be attributed to its optimal composition, offering favorable structural and electrical propertie","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 8","pages":" 2005-2020"},"PeriodicalIF":4.1,"publicationDate":"2026-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147727288","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}
Gopinath M., Rajesh Katru, Navaneeth Madathil, Pembarthi Raju, Khanapuram Uday Kumar, Ravinder Reddy Kisannagar, Inhwa Jung and Rakesh Kumar Rajaboina
The search for efficient, stable, and positive triboelectric materials is urgently needed to advance triboelectric nanogenerator (TENG) technology. Addressing this gap not only enhances device performance but also supports broader sustainability objectives, aligning with SDG-driven efforts toward clean energy, innovation, and responsible material use. While progress has been made with many negative triboelectric materials, the development of their positive counterparts remains limited. Therefore, bridging this gap is essential for achieving higher efficiency TENGs. In the present work, we propose transition metal chalcogenides (TMCs), specifically vanadium tetrasulfide (VS4), as a new tribopositive material for the first time. The positive triboelectric nature of VS4 is experimentally verified with simple electrostatic interaction tests, surface potential values and TENG-based tests. The VS4-based TENG achieves an open-circuit voltage of ∼1.52 kV, a short-circuit current of ∼180 µA, a transferred charge of ∼200 nC, and a power density of 14.45 W m−2 under biomechanical hand-tapping force. The obtained performance is the highest among the sulphur-TMC-based TENGs reported to date. This high-performance TENG device was capable of powering a series-connected array of 720 light-emitting diodes (LEDs) and 6 LED bulbs. The present findings establish VS4 as a new positive material for the development of triboelectric energy harvesting and self-powered systems.
寻找高效、稳定、正的摩擦电材料是推动摩擦电纳米发电机技术发展的迫切需要。解决这一差距不仅可以提高设备性能,还可以支持更广泛的可持续发展目标,与可持续发展目标推动的清洁能源、创新和负责任的材料使用的努力保持一致。虽然许多负摩擦电材料取得了进展,但其正摩擦电材料的发展仍然有限。因此,弥合这一差距对于实现更高效率的teng至关重要。本文首次提出过渡金属硫族化合物(TMCs),特别是四硫化钒(VS4)作为一种新的摩擦正极材料。通过简单的静电相互作用测试、表面电位值和基于teng的测试,实验验证了VS4的正摩擦电性质。基于vs4的TENG在生物力学手拍力作用下,开路电压为~ 1.52 kV,短路电流为~ 180µa,转移电荷为~ 200 nC,功率密度为14.45 W m−2。所获得的性能是迄今为止报道的含硫tmc基TENGs中最高的。这种高性能TENG设备能够为720个发光二极管(LED)和6个LED灯泡串联阵列供电。本研究结果为开发摩擦电能量收集和自供电系统确立了VS4作为一种新的正材料。
{"title":"Transition metal chalcogenides as emerging triboelectric materials for high-performance energy harvesting devices","authors":"Gopinath M., Rajesh Katru, Navaneeth Madathil, Pembarthi Raju, Khanapuram Uday Kumar, Ravinder Reddy Kisannagar, Inhwa Jung and Rakesh Kumar Rajaboina","doi":"10.1039/D5SE01579K","DOIUrl":"https://doi.org/10.1039/D5SE01579K","url":null,"abstract":"<p >The search for efficient, stable, and positive triboelectric materials is urgently needed to advance triboelectric nanogenerator (TENG) technology. Addressing this gap not only enhances device performance but also supports broader sustainability objectives, aligning with SDG-driven efforts toward clean energy, innovation, and responsible material use. While progress has been made with many negative triboelectric materials, the development of their positive counterparts remains limited. Therefore, bridging this gap is essential for achieving higher efficiency TENGs. In the present work, we propose transition metal chalcogenides (TMCs), specifically vanadium tetrasulfide (VS<small><sub>4</sub></small>), as a new tribopositive material for the first time. The positive triboelectric nature of VS<small><sub>4</sub></small> is experimentally verified with simple electrostatic interaction tests, surface potential values and TENG-based tests. The VS<small><sub>4</sub></small>-based TENG achieves an open-circuit voltage of ∼1.52 kV, a short-circuit current of ∼180 µA, a transferred charge of ∼200 nC, and a power density of 14.45 W m<small><sup>−2</sup></small> under biomechanical hand-tapping force. The obtained performance is the highest among the sulphur-TMC-based TENGs reported to date. This high-performance TENG device was capable of powering a series-connected array of 720 light-emitting diodes (LEDs) and 6 LED bulbs. The present findings establish VS<small><sub>4</sub></small> as a new positive material for the development of triboelectric energy harvesting and self-powered systems.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1776-1786"},"PeriodicalIF":4.1,"publicationDate":"2026-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147579115","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}
Electrolytes with a strong temperature dependence of the redox potential, denoted as the temperature coefficient, are required to increase the voltage of thermo-electrochemical devices. In our previous study, we revealed that the temperature coefficient of ferrocyanide/ferricyanide redox couple ([Fe(CN)6]4−/3−) dramatically increases in a mixture of water and tetrabutylammonium fluoride (TBAF) owing to the formation of semiclathrate hydrate (SCH). However, the temperature range in which a high temperature coefficient is obtained is limited to the vicinity of the SCH formation temperature. In this study, we demonstrate that this temperature range can be adjusted using organic salts that provide different SCH formation temperatures, such as tetrabutylammonium chloride and tetrabutylphosphonium chloride (TBPC). Replacing the organic salt affects both the temperature range and magnitude of the temperature coefficient. The calculation using the developed model to evaluate the contribution of SCH formation revealed the origin of the difference in temperature coefficient, such as the dependence of redox potential of [Fe(CN)6]4−/3− on organic salt concentration in the liquid phase, and the temperature dependence of organic salt concentration in the liquid phase. Furthermore, we assembled a thermo-electrochemical device for a charging-free thermally regenerative electrochemical cycle using electrolytes with different organic salts. The devices using different organic salts were operated in distinct temperature ranges: 292–297 K for the TBAF-based system and 276–280 K for the TBPC-based system. This study expands the applicability of high-voltage thermo-electrochemical devices driven by the SCH formation.
{"title":"Tuning operation temperature of charging-free thermally regenerative electrochemical cycles driven by semiclathrate hydrate formation","authors":"Yohei Matsui and Yuki Maeda","doi":"10.1039/D5SE01681A","DOIUrl":"https://doi.org/10.1039/D5SE01681A","url":null,"abstract":"<p >Electrolytes with a strong temperature dependence of the redox potential, denoted as the temperature coefficient, are required to increase the voltage of thermo-electrochemical devices. In our previous study, we revealed that the temperature coefficient of ferrocyanide/ferricyanide redox couple ([Fe(CN)<small><sub>6</sub></small>]<small><sup>4−/3−</sup></small>) dramatically increases in a mixture of water and tetrabutylammonium fluoride (TBAF) owing to the formation of semiclathrate hydrate (SCH). However, the temperature range in which a high temperature coefficient is obtained is limited to the vicinity of the SCH formation temperature. In this study, we demonstrate that this temperature range can be adjusted using organic salts that provide different SCH formation temperatures, such as tetrabutylammonium chloride and tetrabutylphosphonium chloride (TBPC). Replacing the organic salt affects both the temperature range and magnitude of the temperature coefficient. The calculation using the developed model to evaluate the contribution of SCH formation revealed the origin of the difference in temperature coefficient, such as the dependence of redox potential of [Fe(CN)<small><sub>6</sub></small>]<small><sup>4−/3−</sup></small> on organic salt concentration in the liquid phase, and the temperature dependence of organic salt concentration in the liquid phase. Furthermore, we assembled a thermo-electrochemical device for a charging-free thermally regenerative electrochemical cycle using electrolytes with different organic salts. The devices using different organic salts were operated in distinct temperature ranges: 292–297 K for the TBAF-based system and 276–280 K for the TBPC-based system. This study expands the applicability of high-voltage thermo-electrochemical devices driven by the SCH formation.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1719-1727"},"PeriodicalIF":4.1,"publicationDate":"2026-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147579110","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}
Radouane Asri, Malak Bounbaâ, Mohamed Khuili, El Houssine Atmani and Nejma Fazouan
Density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations were performed to investigate hydrogen storage in a carbon-doped boron nitride (BN) lattice derived from the 8-16-4 graphyne structure, decorated with lithium atoms. Carbon incorporation into the SBNyne lattice significantly increases the binding affinity of Li adatoms and prevents Li clustering. As a result, the newly developed material 2Li@C-SBNyne contains two strongly bound Li adatoms per unit cell that can adsorb hydrogen molecules efficiently. Each Li atom can coordinate up to four H2 molecules, giving a maximum of eight H2 molecules per C-SBNyne unit cell, with an average adsorption energy of approximately Ead = −0.163 per H2 and a hydrogen storage capacity of 7.12%. The adsorption energy lies within the optimal range for reversible storage, and the gravimetric capacity exceeds the U.S. Department of Energy (DOE) 2025 onboard hydrogen storage gravimetric target of 5.5 wt%. Thermodynamic analysis predicts a desorption temperature of approximately 209 K. AIMD runs of 8 ps at 209 K and 300 K show strong adhesion of the Li adatoms to the C-SBNyne lattice and preservation of the molecular integrity of the adsorbed H2, indicating good thermal stability.
{"title":"DFT-D3 and AIMD investigation of hydrogen storage in the Li-decorated carbon-doped BN analogue of 8-16-4 graphyne","authors":"Radouane Asri, Malak Bounbaâ, Mohamed Khuili, El Houssine Atmani and Nejma Fazouan","doi":"10.1039/D6SE00026F","DOIUrl":"https://doi.org/10.1039/D6SE00026F","url":null,"abstract":"<p >Density functional theory (DFT) and <em>ab initio</em> molecular dynamics (AIMD) simulations were performed to investigate hydrogen storage in a carbon-doped boron nitride (BN) lattice derived from the 8-16-4 graphyne structure, decorated with lithium atoms. Carbon incorporation into the SBNyne lattice significantly increases the binding affinity of Li adatoms and prevents Li clustering. As a result, the newly developed material 2Li@C-SBNyne contains two strongly bound Li adatoms per unit cell that can adsorb hydrogen molecules efficiently. Each Li atom can coordinate up to four H<small><sub>2</sub></small> molecules, giving a maximum of eight H<small><sub>2</sub></small> molecules per C-SBNyne unit cell, with an average adsorption energy of approximately <em>E</em><small><sub>ad</sub></small> = −0.163 per H<small><sub>2</sub></small> and a hydrogen storage capacity of 7.12%. The adsorption energy lies within the optimal range for reversible storage, and the gravimetric capacity exceeds the U.S. Department of Energy (DOE) 2025 onboard hydrogen storage gravimetric target of 5.5 wt%. Thermodynamic analysis predicts a desorption temperature of approximately 209 K. AIMD runs of 8 ps at 209 K and 300 K show strong adhesion of the Li adatoms to the C-SBNyne lattice and preservation of the molecular integrity of the adsorbed H<small><sub>2</sub></small>, indicating good thermal stability.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1765-1775"},"PeriodicalIF":4.1,"publicationDate":"2026-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147579114","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}
Yudong Liu, Yongchao Niu, Weinan Wang, Yani Hua, Yue Huang, Ao Wang and Zhan Gao
This review highlights the growing importance of electrocatalytic CO2 reduction in sustainable energy production, focusing on overcoming key industrial challenges, such as catalyst instability, poor selectivity, and low energy efficiency. The electrochemical conversion of CO2 into value-added fuels presents an environmentally friendly approach to mitigate pollution and climate change while offering a pathway toward carbon neutrality. This review summarizes recent advancements in the application of single-atom catalysts (SACs) for the CO2 reduction reaction (CO2RR) via electrolysis. Special attention is given to the various supports for single metal atoms, which are crucial for enhancing catalytic performance. Strategies such as optimizing the coordination environment, utilizing dual-atom sites, and incorporating heteroatom doping and defect engineering for improving the SAC performance are discussed. Finally, future strategies for advancing CO2 electrolysis catalysts are proposed, aiming to address existing challenges and enhance their industrial applicability.
{"title":"The role of single-atom catalysts in CO2 electroreduction: insights into performance, design, and future perspectives","authors":"Yudong Liu, Yongchao Niu, Weinan Wang, Yani Hua, Yue Huang, Ao Wang and Zhan Gao","doi":"10.1039/D5SE01714A","DOIUrl":"https://doi.org/10.1039/D5SE01714A","url":null,"abstract":"<p >This review highlights the growing importance of electrocatalytic CO<small><sub>2</sub></small> reduction in sustainable energy production, focusing on overcoming key industrial challenges, such as catalyst instability, poor selectivity, and low energy efficiency. The electrochemical conversion of CO<small><sub>2</sub></small> into value-added fuels presents an environmentally friendly approach to mitigate pollution and climate change while offering a pathway toward carbon neutrality. This review summarizes recent advancements in the application of single-atom catalysts (SACs) for the CO<small><sub>2</sub></small> reduction reaction (CO<small><sub>2</sub></small>RR) <em>via</em> electrolysis. Special attention is given to the various supports for single metal atoms, which are crucial for enhancing catalytic performance. Strategies such as optimizing the coordination environment, utilizing dual-atom sites, and incorporating heteroatom doping and defect engineering for improving the SAC performance are discussed. Finally, future strategies for advancing CO<small><sub>2</sub></small> electrolysis catalysts are proposed, aiming to address existing challenges and enhance their industrial applicability.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 8","pages":" 1845-1867"},"PeriodicalIF":4.1,"publicationDate":"2026-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147727277","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}
Lucky Panwar, Sahil Kohli, Indrani Jha and Garima Rathee
MXene-based photocatalysts have emerged as a versatile platform for solar-driven CO2 reduction, offering new routes for sustainable fuel and chemical production. This review first outlines the fundamental structure, electronic/optical properties, and synthesis strategies of MXenes relevant to photocatalysis. It then critically discusses the roles of MXenes in CO2 reduction, including co-catalyst behavior, charge-transfer mediation, and photothermal enhancement, within diverse heterostructure architectures such as 2D/2D junctions, S-scheme and Z-scheme systems, and ternary composites. Particular emphasis is placed on interfacial engineering and surface termination control to optimize charge separation and C1/C2 product selectivity, along with emerging AI/ML-guided approaches for rational MXene design. Sustainability aspects of MXene synthesis and deployment, including HF-free routes, scalability, energy input, and stability, are also evaluated. Finally, key research priorities are identified, encompassing operando stability, AI-guided termination and interface control, and device-level integration, to guide the development of practical MXene-based photocatalytic CO2 reduction technologies.
{"title":"Advances in interfacial engineering of MXene-based photocatalysts for solar CO2 conversion","authors":"Lucky Panwar, Sahil Kohli, Indrani Jha and Garima Rathee","doi":"10.1039/D6SE00066E","DOIUrl":"https://doi.org/10.1039/D6SE00066E","url":null,"abstract":"<p >MXene-based photocatalysts have emerged as a versatile platform for solar-driven CO<small><sub>2</sub></small> reduction, offering new routes for sustainable fuel and chemical production. This review first outlines the fundamental structure, electronic/optical properties, and synthesis strategies of MXenes relevant to photocatalysis. It then critically discusses the roles of MXenes in CO<small><sub>2</sub></small> reduction, including co-catalyst behavior, charge-transfer mediation, and photothermal enhancement, within diverse heterostructure architectures such as 2D/2D junctions, S-scheme and Z-scheme systems, and ternary composites. Particular emphasis is placed on interfacial engineering and surface termination control to optimize charge separation and C<small><sub>1</sub></small>/C<small><sub>2</sub></small> product selectivity, along with emerging AI/ML-guided approaches for rational MXene design. Sustainability aspects of MXene synthesis and deployment, including HF-free routes, scalability, energy input, and stability, are also evaluated. Finally, key research priorities are identified, encompassing <em>operando</em> stability, AI-guided termination and interface control, and device-level integration, to guide the development of practical MXene-based photocatalytic CO<small><sub>2</sub></small> reduction technologies.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 8","pages":" 1868-1905"},"PeriodicalIF":4.1,"publicationDate":"2026-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147727278","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}
Shuai Li, Shilei Wang, Xi Wang, Zhi Wang, Shiru Li, Shaohua Yang, Feng Xue, Yafan Cai and Hanjie Ying
Anaerobic digestion (AD) technology, as an important approach for the resource utilization of organic waste and the production of clean energy, still faces key challenges such as a prolonged acclimatization period, easy acidification and low methane production efficiency in practical applications. This paper systematically reviews the mechanisms of action and application prospects of carbon-based materials (such as biochar, activated carbon, carbon nanotubes, graphene, etc.) as multifunctional additives in improving AD performance. The core argument is that carbon-based materials significantly enhance system stability and methane yield through multiple synergistic pathways such as physical adsorption, chemical buffering, and bioelectron transfer (especially direct interspecies electron transfer, DIET). This paper constructs a cross-scale mechanistic analysis framework from material structural characteristics to microbial ecological functions, critically reviews the limitations of current research, and prospectively proposes future development directions such as rational material design, artificial intelligence (AI) and machine learning models for process optimization, and life cycle assessment, aiming to provide theoretical support and technical pathways for promoting the translation of carbon-based materials from laboratory research to industrial application.
{"title":"Carbon-based materials in anaerobic digestion for methane production: unraveling the multi-faceted mechanisms and shaping future perspectives","authors":"Shuai Li, Shilei Wang, Xi Wang, Zhi Wang, Shiru Li, Shaohua Yang, Feng Xue, Yafan Cai and Hanjie Ying","doi":"10.1039/D5SE01690H","DOIUrl":"https://doi.org/10.1039/D5SE01690H","url":null,"abstract":"<p >Anaerobic digestion (AD) technology, as an important approach for the resource utilization of organic waste and the production of clean energy, still faces key challenges such as a prolonged acclimatization period, easy acidification and low methane production efficiency in practical applications. This paper systematically reviews the mechanisms of action and application prospects of carbon-based materials (such as biochar, activated carbon, carbon nanotubes, graphene, <em>etc.</em>) as multifunctional additives in improving AD performance. The core argument is that carbon-based materials significantly enhance system stability and methane yield through multiple synergistic pathways such as physical adsorption, chemical buffering, and bioelectron transfer (especially direct interspecies electron transfer, DIET). This paper constructs a cross-scale mechanistic analysis framework from material structural characteristics to microbial ecological functions, critically reviews the limitations of current research, and prospectively proposes future development directions such as rational material design, artificial intelligence (AI) and machine learning models for process optimization, and life cycle assessment, aiming to provide theoretical support and technical pathways for promoting the translation of carbon-based materials from laboratory research to industrial application.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1557-1578"},"PeriodicalIF":4.1,"publicationDate":"2026-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147579100","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}
Valerie Giscard Seyep Nguepgang and Singaram Vengatesan
Anion exchange membranes (AEMs) have emerged as pivotal components in fuel cell and water electrolyzer technologies, offering a cost-effective alternative to proton exchange membranes due to their operation under alkaline conditions. This review comprehensively analyzes the latest advancements in AEMs and their composite materials, focusing on their structural modifications, ionic conductivity, chemical stability, and performance enhancements. The development of novel polymer backbones, incorporation of nanofillers, and crosslinking strategies have significantly improved the mechanical robustness and ionic transport properties of AEMs, addressing long-standing challenges such as membrane degradation and conductivity limitations. Furthermore, the role of functionalized polymers, predominantly those with quaternary ammonium (QA) groups, in optimizing AEMs' physicochemical properties is discussed. Materials science innovations are explored, highlighting recent breakthroughs in enhancing fuel cell efficiency and electrolyzer durability. This review strives to bridge the gap between fundamental science and industrial application, paving the way for the next generation of high-performance electrochemical energy devices. The challenges and opportunities in the field are critically analyzed, offering strategic directions for future research and technological development in AEM-based energy systems.
{"title":"Unveiling the recent progress in anion exchange membranes and their composites for fuel cells and water electrolyzer applications","authors":"Valerie Giscard Seyep Nguepgang and Singaram Vengatesan","doi":"10.1039/D5SE01486G","DOIUrl":"https://doi.org/10.1039/D5SE01486G","url":null,"abstract":"<p >Anion exchange membranes (AEMs) have emerged as pivotal components in fuel cell and water electrolyzer technologies, offering a cost-effective alternative to proton exchange membranes due to their operation under alkaline conditions. This review comprehensively analyzes the latest advancements in AEMs and their composite materials, focusing on their structural modifications, ionic conductivity, chemical stability, and performance enhancements. The development of novel polymer backbones, incorporation of nanofillers, and crosslinking strategies have significantly improved the mechanical robustness and ionic transport properties of AEMs, addressing long-standing challenges such as membrane degradation and conductivity limitations. Furthermore, the role of functionalized polymers, predominantly those with quaternary ammonium (QA) groups, in optimizing AEMs' physicochemical properties is discussed. Materials science innovations are explored, highlighting recent breakthroughs in enhancing fuel cell efficiency and electrolyzer durability. This review strives to bridge the gap between fundamental science and industrial application, paving the way for the next generation of high-performance electrochemical energy devices. The challenges and opportunities in the field are critically analyzed, offering strategic directions for future research and technological development in AEM-based energy systems.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 8","pages":" 1906-1946"},"PeriodicalIF":4.1,"publicationDate":"2026-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147727279","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}