A dual heteroatom (N,P)-doped carbon nanostructure grafted on nickel nanoparticles synergistically enhances the catalytic effect for H2O adsorption during the hydrogen evolution reaction (HER). We developed a one-step pyrolysis route to synthesize N,P-codoped carbon grafted on Ni nanoparticles as an efficient electrocatalyst for H2 generation. The atomic size mismatch of N and P with C disrupts the sp2 carbon lattice, introducing defects. Furthermore, defect coalescence generates pores and abundant active sites, enabling excellent HER performance with an overpotential of only 41 mV at 10 mA cm−2 in 1 M KOH. We developed a custom setup to quantify the generated H2 as a function of applied potential using chronoamperometric measurements. The H2 generation rate increased with applied negative potential, reaching 3.60 mL mg−1 min−1 at −200 mV. The dynamics of ions for a highly efficient catalyst were further investigated using electrochemical impedance spectroscopy (EIS) at the same applied potential. The interconnected pores in the nanostructure facilitated the electroactive species to access internal active sites, consequently lowering the magnitude of impedance (|Z|imp). As the applied negative potential increased, a sharp decrease in |Z|imp indicated an improved HER kinetics, leading to faster reaction rates and enhanced performance.
在析氢反应(HER)中,双杂原子(N,P)掺杂的碳纳米结构接枝在镍纳米颗粒上,协同增强了对水吸附的催化作用。我们开发了一种一步热解的方法来合成N, p共掺杂的碳接枝在Ni纳米颗粒上作为H2生成的高效电催化剂。N和P与C的原子尺寸不匹配破坏了sp2碳晶格,引入了缺陷。此外,缺陷聚结产生孔洞和丰富的活性位点,使其具有优异的HER性能,在10 mA cm−2和1 M KOH条件下,过电位仅为41 mV。我们开发了一个定制的设置,通过计时安培测量来量化产生的氢气作为应用电位的函数。负电位下H2的生成速率随负电位的增加而增加,在−200 mV下达到3.60 mL mg−1 min−1。利用电化学阻抗谱(EIS)进一步研究了一种高效催化剂在相同电位下的离子动力学。纳米结构中相互连接的孔隙有助于电活性物质进入内部活性位点,从而降低阻抗大小(|Z|imp)。随着施加负电位的增加,|Z|imp的急剧下降表明HER动力学得到改善,从而导致更快的反应速率和增强的性能。
{"title":"N,P-codoped carbon shells grafted on nickel nanoparticles as an efficient catalyst for hydrogen generation","authors":"Sarvesh Kumar, Ashwini Anshu, Rajeev Kumar, Ankit Yadav and Balaram Sahoo","doi":"10.1039/D5SE01281C","DOIUrl":"https://doi.org/10.1039/D5SE01281C","url":null,"abstract":"<p >A dual heteroatom (N,P)-doped carbon nanostructure grafted on nickel nanoparticles synergistically enhances the catalytic effect for H<small><sub>2</sub></small>O adsorption during the hydrogen evolution reaction (HER). We developed a one-step pyrolysis route to synthesize N,P-codoped carbon grafted on Ni nanoparticles as an efficient electrocatalyst for H<small><sub>2</sub></small> generation. The atomic size mismatch of N and P with C disrupts the sp<small><sup>2</sup></small> carbon lattice, introducing defects. Furthermore, defect coalescence generates pores and abundant active sites, enabling excellent HER performance with an overpotential of only 41 mV at 10 mA cm<small><sup>−2</sup></small> in 1 M KOH. We developed a custom setup to quantify the generated H<small><sub>2</sub></small> as a function of applied potential using chronoamperometric measurements. The H<small><sub>2</sub></small> generation rate increased with applied negative potential, reaching 3.60 mL mg<small><sup>−1</sup></small> min<small><sup>−1</sup></small> at −200 mV. The dynamics of ions for a highly efficient catalyst were further investigated using electrochemical impedance spectroscopy (EIS) at the same applied potential. The interconnected pores in the nanostructure facilitated the electroactive species to access internal active sites, consequently lowering the magnitude of impedance (|<em>Z</em>|<small><sub>imp</sub></small>). As the applied negative potential increased, a sharp decrease in |<em>Z</em>|<small><sub>imp</sub></small> indicated an improved HER kinetics, leading to faster reaction rates and enhanced performance.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 2","pages":" 657-666"},"PeriodicalIF":4.1,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146001898","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}
Hafsa Mehmood, Haseeb Akbar and Shabbir H. Gheewala
The global transition toward renewable hydrogen highlights the need for robust environmental assessments of biomass-based pathways. Rice straw, an abundant agricultural residue in Thailand, is a promising feedstock, yet direct comparative evaluations of its thermochemical and biological conversion routes in Southeast Asia remain limited. This study fills this gap by conducting a life cycle assessment of hydrogen production from rice straw via gasification and dark fermentation under Thailand's agricultural conditions. Using the ReCiPe 2016 (Hierarchist) method, both midpoint and endpoint indicators are analyzed. Results show that the global warming potentials of gasification (∼14.2 kg CO2-eq per kg H2) and dark fermentation (∼14.6 kg CO2-eq per kg H2) are comparable, representing a substantial reduction compared to fossil-based hydrogen production (∼30–35 kg CO2-eq per kg H2). However, dark fermentation has markedly higher impacts on fine particulate matter formation, terrestrial acidification, and fossil resource scarcity, largely driven by upstream straw production and chemicals used in the dark fermentation process, whereas gasification burdens stem from its energy-intensive conversion stage. These findings underscore the need for technology-specific strategies to advance the development of renewable hydrogen in Thailand. For dark fermentation, improvements in circular nutrient and chemical management are critical, while gasification pathways should prioritize energy efficiency and integration with renewable energy sources. Overall, these results indicate that biomass-based hydrogen is not inherently more environmentally friendly than fossil-based hydrogen, particularly when assessed from a cradle-to-gate perspective. Further investigation with uncertainty quantification may help strengthen the results and support policymakers in making informed decisions for hydrogen development within the country's Bio-Circular-Green economy strategy and 2050 net-zero target.
全球向可再生氢的过渡凸显了对基于生物质的途径进行强有力的环境评估的必要性。水稻秸秆是泰国丰富的农业残渣,是一种很有前途的原料,但在东南亚对其热化学和生物转化途径的直接比较评价仍然有限。本研究通过在泰国农业条件下通过气化和暗发酵对稻草制氢进行生命周期评估,填补了这一空白。使用ReCiPe 2016 (Hierarchist)方法,对中点和端点指标进行分析。结果表明,气化(每公斤H2约14.2 kg co2当量)和暗发酵(每公斤H2约14.6 kg co2当量)的全球变暖潜能值相当,与化石制氢(每公斤H2约30-35 kg co2当量)相比,显著降低。然而,暗发酵对细颗粒物形成、陆地酸化和化石资源稀缺的影响明显更高,这主要是由上游秸秆生产和暗发酵过程中使用的化学品驱动的,而气化负担源于其能源密集型转化阶段。这些发现强调了在泰国推进可再生氢发展的技术特定战略的必要性。对于暗发酵,改善循环营养和化学管理至关重要,而气化途径应优先考虑能源效率并与可再生能源相结合。总的来说,这些结果表明生物质氢并不比化石氢更环保,特别是从从摇篮到大门的角度进行评估时。通过不确定性量化的进一步调查可能有助于加强结果,并支持政策制定者在该国的生物循环-绿色经济战略和2050年净零目标中做出明智的氢发展决策。
{"title":"Rice straw to renewable hydrogen: comparative life cycle assessment of gasification and dark fermentation for hydrogen production in Thailand","authors":"Hafsa Mehmood, Haseeb Akbar and Shabbir H. Gheewala","doi":"10.1039/D5SE01551K","DOIUrl":"https://doi.org/10.1039/D5SE01551K","url":null,"abstract":"<p >The global transition toward renewable hydrogen highlights the need for robust environmental assessments of biomass-based pathways. Rice straw, an abundant agricultural residue in Thailand, is a promising feedstock, yet direct comparative evaluations of its thermochemical and biological conversion routes in Southeast Asia remain limited. This study fills this gap by conducting a life cycle assessment of hydrogen production from rice straw <em>via</em> gasification and dark fermentation under Thailand's agricultural conditions. Using the ReCiPe 2016 (Hierarchist) method, both midpoint and endpoint indicators are analyzed. Results show that the global warming potentials of gasification (∼14.2 kg CO<small><sub>2</sub></small>-eq per kg H<small><sub>2</sub></small>) and dark fermentation (∼14.6 kg CO<small><sub>2</sub></small>-eq per kg H<small><sub>2</sub></small>) are comparable, representing a substantial reduction compared to fossil-based hydrogen production (∼30–35 kg CO<small><sub>2</sub></small>-eq per kg H<small><sub>2</sub></small>). However, dark fermentation has markedly higher impacts on fine particulate matter formation, terrestrial acidification, and fossil resource scarcity, largely driven by upstream straw production and chemicals used in the dark fermentation process, whereas gasification burdens stem from its energy-intensive conversion stage. These findings underscore the need for technology-specific strategies to advance the development of renewable hydrogen in Thailand. For dark fermentation, improvements in circular nutrient and chemical management are critical, while gasification pathways should prioritize energy efficiency and integration with renewable energy sources. Overall, these results indicate that biomass-based hydrogen is not inherently more environmentally friendly than fossil-based hydrogen, particularly when assessed from a cradle-to-gate perspective. Further investigation with uncertainty quantification may help strengthen the results and support policymakers in making informed decisions for hydrogen development within the country's Bio-Circular-Green economy strategy and 2050 net-zero target.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 3","pages":" 920-930"},"PeriodicalIF":4.1,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111399","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}
Natália Podrojková, Alexandra Gubóová, Magdalena Streckova, František Kromka and Renáta Oriňaková
Correction for ‘Experimental and computational analysis of Ni–P and Fe–P metal foams for enhanced hydrogen evolution reaction in alkaline media’ by Natália Podrojková et al., Sustainable Energy Fuels, 2025, 9, 5044–5056, https://doi.org/10.1039/D5SE00527B.
{"title":"Correction: Experimental and computational analysis of Ni–P and Fe–P metal foams for enhanced hydrogen evolution reaction in alkaline media","authors":"Natália Podrojková, Alexandra Gubóová, Magdalena Streckova, František Kromka and Renáta Oriňaková","doi":"10.1039/D5SE90095F","DOIUrl":"https://doi.org/10.1039/D5SE90095F","url":null,"abstract":"<p >Correction for ‘Experimental and computational analysis of Ni–P and Fe–P metal foams for enhanced hydrogen evolution reaction in alkaline media’ by Natália Podrojková <em>et al.</em>, <em>Sustainable Energy Fuels</em>, 2025, <strong>9</strong>, 5044–5056, https://doi.org/10.1039/D5SE00527B.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 2","pages":" 675-675"},"PeriodicalIF":4.1,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/se/d5se90095f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146001899","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Liyun Cao, Wenchao Li, Jianfeng Huang, Dewei Chu, Yijun Liu, Faliang Luo, Xuemeng Huo, Dongping Wang and Yongqiang Feng
To enhance the efficiency of electrochemical water splitting for hydrogen production, it is essential to employ hydrogen evolution reaction (HER) electrocatalysts that lower the energy barrier and accelerate the HER kinetics. In this study, a ruthenium (Ru) nanoparticle-anchored zirconium dioxide (ZrO2) matrix derived from a Zr-based metal–organic framework (MOF), denoted as Rux@UiO-bpy-900 (bpy refers to bipyridine), was synthesized via a liquid-phase impregnation and subsequent calcination method at 900 °C. The incorporation of Ru, which exhibits platinum-like hydrogen binding energy, modulates the hybrid structure of UiO-bpy-derived carbon materials, enhances electron transport, and leverages the synergistic effect of Ru/Zr bimetallic sites to alter the electronic structure of the material, thereby improving the hydrogen evolution efficiency. The catalyst requires an overpotential of only 28 mV to achieve a current density of 10 mA cm−2 in 1 M KOH, outperforming the reference Pt/C catalyst. It also demonstrates superior HER activity across the entire pH range compared to UiO-bpy-900. This work provides a foundation for the development of MOF-based electrocatalysts suitable for energy conversion and storage applications.
为了提高电化学水裂解制氢的效率,必须采用降低能垒和加速析氢反应动力学的析氢反应电催化剂。在本研究中,以锆基金属有机骨架(MOF)为原料,通过液相浸渍和随后的煅烧方法,在900℃下合成了钌(Ru)纳米颗粒锚定的二氧化锆(ZrO2)基体,表示为Rux@UiO-bpy-900 (bpy为联吡啶)。具有铂类氢结合能的Ru的加入调节了uio -bpy衍生碳材料的杂化结构,增强了电子输运,并利用Ru/Zr双金属位的协同效应改变了材料的电子结构,从而提高了析氢效率。该催化剂只需要28 mV的过电位就可以在1 M KOH中达到10 mA cm - 2的电流密度,优于参考Pt/C催化剂。与UiO-bpy-900相比,它在整个pH范围内也显示出优越的HER活性。该工作为开发适合于能量转换和存储应用的mof基电催化剂奠定了基础。
{"title":"Ruthenium-anchored zirconium dioxide derived from a metal–organic framework as a highly efficient pH-universal electrocatalyst for hydrogen evolution","authors":"Liyun Cao, Wenchao Li, Jianfeng Huang, Dewei Chu, Yijun Liu, Faliang Luo, Xuemeng Huo, Dongping Wang and Yongqiang Feng","doi":"10.1039/D5SE01592H","DOIUrl":"https://doi.org/10.1039/D5SE01592H","url":null,"abstract":"<p >To enhance the efficiency of electrochemical water splitting for hydrogen production, it is essential to employ hydrogen evolution reaction (HER) electrocatalysts that lower the energy barrier and accelerate the HER kinetics. In this study, a ruthenium (Ru) nanoparticle-anchored zirconium dioxide (ZrO<small><sub>2</sub></small>) matrix derived from a Zr-based metal–organic framework (MOF), denoted as Ru<small><sub><em>x</em></sub></small>@UiO-bpy-900 (bpy refers to bipyridine), was synthesized <em>via</em> a liquid-phase impregnation and subsequent calcination method at 900 °C. The incorporation of Ru, which exhibits platinum-like hydrogen binding energy, modulates the hybrid structure of UiO-bpy-derived carbon materials, enhances electron transport, and leverages the synergistic effect of Ru/Zr bimetallic sites to alter the electronic structure of the material, thereby improving the hydrogen evolution efficiency. The catalyst requires an overpotential of only 28 mV to achieve a current density of 10 mA cm<small><sup>−2</sup></small> in 1 M KOH, outperforming the reference Pt/C catalyst. It also demonstrates superior HER activity across the entire pH range compared to UiO-bpy-900. This work provides a foundation for the development of MOF-based electrocatalysts suitable for energy conversion and storage applications.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 3","pages":" 897-904"},"PeriodicalIF":4.1,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111392","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}
Cyril O. Ehi-Eromosele, Samuel O. Ajayi, Jude N. Ikebudu, Chioma V. Abiaziem and Mkhulu K. Mathe
High-voltage LiNi0.5Mn1.5O4 (LNMO) cathode materials are highly desirable for the fabrication of next-generation lithium-ion batteries (LIBs). In this study, citric acid, glycine, and sucrose fuels were used to optimize the structural and electrochemical properties of LNMO materials obtained by sol–gel combustion synthesis (SCS). The experimental results showed that the type of fuel used in the SCS process influenced the enthalpy of combustion, crystallite size, morphology, cationic disorder and electrochemical properties of the LNMO materials. XRD results indicated that all the LNMO materials have a phase-pure spinel structure with the Fd3m space group. The glycine fuel composition produced LNMO material (LNMO-G) with the least crystallite size, less cationic disorder and the highest crystallinity compared with those having the citric acid fuel (LNMO-C) and sucrose fuel (LNMO-S) compositions. As a result, the LNMO-G cell delivered the highest first discharge capacity of 115.83 mA h g−1 and retained 80.06% of its initial capacity after 200 cycles at a current density of 1C. Moreover, the LNMO-G cell had the best rate capability compared with the LNMO-C and LNMO-S cells, with a discharge capacity of 60 mA h g−1 at a rate of 2C between 3.50 and 5.30 V. Furthermore, Ag doping (LNMAO) improved the rate capability and Li-ion kinetics of the LNMO-G cathode material. The LNMAO cathode achieved a reversible discharge capacity of 100 mA h g−1 at a rate of 2C between 3.50 and 5.30 V. These findings show that LNMO cathode materials can be optimized for ultra-high-voltage (>5.0 V) performance in LIBs for advanced applications.
高压LiNi0.5Mn1.5O4 (LNMO)正极材料是制造下一代锂离子电池(LIBs)的理想材料。本研究以柠檬酸、甘氨酸和蔗糖为燃料,对溶胶-凝胶燃烧合成(SCS)法制备的LNMO材料的结构和电化学性能进行了优化。实验结果表明,燃料类型对燃烧焓、晶体大小、形貌、阳离子无序度和电化学性能均有影响。XRD结果表明,所有LNMO材料均具有Fd3m空间基团的相纯尖晶石结构。与柠檬酸燃料(LNMO- c)和蔗糖燃料(LNMO- s)组成相比,甘氨酸燃料组成产生的LNMO材料(LNMO- g)晶体尺寸最小,阳离子无序性较小,结晶度最高。结果表明,在1C电流密度下,LNMO-G电池在200次循环后的首次放电容量达到了最高的115.83 mA h g−1,并保持了其初始容量的80.06%。此外,与LNMO-C和LNMO-S电池相比,LNMO-G电池具有最佳的倍率性能,在3.50 ~ 5.30 V范围内,在2C倍率下放电容量为60 mA h g−1。此外,Ag掺杂(LNMAO)改善了LNMO-G正极材料的倍率能力和锂离子动力学。该LNMAO阴极在3.50 ~ 5.30 V之间以2C速率实现了100 mA h g−1的可逆放电容量。这些发现表明,LNMO正极材料可以优化为锂离子电池的超高压(>5.0 V)性能,用于高级应用。
{"title":"High-voltage LiNi0.5Mn1.5O4 cathodes for Li-ion batteries obtained by sol–gel combustion method: effects of fuel-type and silver doping","authors":"Cyril O. Ehi-Eromosele, Samuel O. Ajayi, Jude N. Ikebudu, Chioma V. Abiaziem and Mkhulu K. Mathe","doi":"10.1039/D5SE01296A","DOIUrl":"https://doi.org/10.1039/D5SE01296A","url":null,"abstract":"<p >High-voltage LiNi<small><sub>0.5</sub></small>Mn<small><sub>1.5</sub></small>O<small><sub>4</sub></small> (LNMO) cathode materials are highly desirable for the fabrication of next-generation lithium-ion batteries (LIBs). In this study, citric acid, glycine, and sucrose fuels were used to optimize the structural and electrochemical properties of LNMO materials obtained by sol–gel combustion synthesis (SCS). The experimental results showed that the type of fuel used in the SCS process influenced the enthalpy of combustion, crystallite size, morphology, cationic disorder and electrochemical properties of the LNMO materials. XRD results indicated that all the LNMO materials have a phase-pure spinel structure with the <em>Fd</em>3<em>m</em> space group. The glycine fuel composition produced LNMO material (LNMO-G) with the least crystallite size, less cationic disorder and the highest crystallinity compared with those having the citric acid fuel (LNMO-C) and sucrose fuel (LNMO-S) compositions. As a result, the LNMO-G cell delivered the highest first discharge capacity of 115.83 mA h g<small><sup>−1</sup></small> and retained 80.06% of its initial capacity after 200 cycles at a current density of 1C. Moreover, the LNMO-G cell had the best rate capability compared with the LNMO-C and LNMO-S cells, with a discharge capacity of 60 mA h g<small><sup>−1</sup></small> at a rate of 2C between 3.50 and 5.30 V. Furthermore, Ag doping (LNMAO) improved the rate capability and Li-ion kinetics of the LNMO-G cathode material. The LNMAO cathode achieved a reversible discharge capacity of 100 mA h g<small><sup>−1</sup></small> at a rate of 2C between 3.50 and 5.30 V. These findings show that LNMO cathode materials can be optimized for ultra-high-voltage (>5.0 V) performance in LIBs for advanced applications.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 3","pages":" 882-896"},"PeriodicalIF":4.1,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111391","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}
Thangaraj Thiruppathiraja, Basheer Aazaad and Angappan Mano Priya
The photocatalytic CO2 reduction reaction (CO2RR) has attracted considerable attention as a promising strategy for sustainable fuel production. Recent efforts have focused on enhancing the catalytic performance of iron-doped tetraphenylporphyrin (Fe-TPP) through chemical modification. This work has systematically investigated the hydroxyl, amino-functionalized Fe-TPP (Fe-OHTPP and Fe-NH2TPP) as a photocatalyst for CO2RR using density functional theory (DFT) calculations. The HOMO–LUMO analysis reveals that the Fe center acts as an electronic bridge, promoting efficient charge transfer. To explore the photocatalytic mechanism, we examined the most favorable adsorption configurations of key intermediates and evaluated their reaction and Gibbs free energies. The calculated limiting potential of Fe-NH2TPP is −0.24 eV, and the adsorption energy of the C1 product CH4 molecule is −0.05 eV for both surfaces, indicating that the catalyst remains stable and reusable after product release. Overall, the results demonstrate that Fe-OHTPP and Fe-NH2TPP catalysts thermodynamically favors C1 production, providing mechanistic insights of CO2 conversion into value-added chemical fuels via hydroxyl, amino-functionalized Fe-TPP photocatalysts.
{"title":"Computational study of OH, NH2-functionalized iron-doped tetraphenylporphyrin as a photocatalyst for CO2 reduction to C1 fuels","authors":"Thangaraj Thiruppathiraja, Basheer Aazaad and Angappan Mano Priya","doi":"10.1039/D5SE01431J","DOIUrl":"https://doi.org/10.1039/D5SE01431J","url":null,"abstract":"<p >The photocatalytic CO<small><sub>2</sub></small> reduction reaction (CO<small><sub>2</sub></small>RR) has attracted considerable attention as a promising strategy for sustainable fuel production. Recent efforts have focused on enhancing the catalytic performance of iron-doped tetraphenylporphyrin (Fe-TPP) through chemical modification. This work has systematically investigated the hydroxyl, amino-functionalized Fe-TPP (Fe-OHTPP and Fe-NH<small><sub>2</sub></small>TPP) as a photocatalyst for CO<small><sub>2</sub></small>RR using density functional theory (DFT) calculations. The HOMO–LUMO analysis reveals that the Fe center acts as an electronic bridge, promoting efficient charge transfer. To explore the photocatalytic mechanism, we examined the most favorable adsorption configurations of key intermediates and evaluated their reaction and Gibbs free energies. The calculated limiting potential of Fe-NH<small><sub>2</sub></small>TPP is −0.24 eV, and the adsorption energy of the C<small><sub>1</sub></small> product CH<small><sub>4</sub></small> molecule is −0.05 eV for both surfaces, indicating that the catalyst remains stable and reusable after product release. Overall, the results demonstrate that Fe-OHTPP and Fe-NH<small><sub>2</sub></small>TPP catalysts thermodynamically favors C<small><sub>1</sub></small> production, providing mechanistic insights of CO<small><sub>2</sub></small> conversion into value-added chemical fuels <em>via</em> hydroxyl, amino-functionalized Fe-TPP photocatalysts.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 3","pages":" 834-844"},"PeriodicalIF":4.1,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111387","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}
Core–shell nanofibers have emerged as a versatile class of nanostructured materials due to their unique ability to integrate multiple functionalities within a single architecture. Their coaxial geometry, which combines core and shell domains, allows for precise control over composition, interfacial interactions, and surface characteristics, making them highly attractive for advanced electronic and biomedical applications. This review highlights recent advancements in the design, synthesis, and application of core–shell nanofibers, with a focus on their roles in magnetoelectric devices and drug delivery systems. For magnetoelectric devices, core–shell nanofibers provide efficient coupling between magnetic and electric order parameters, enabling the development of miniaturized, flexible, high-sensitivity sensors, energy harvesters, and transducers. Their high aspect ratio, tunable interfacial stress transfer, and enhanced magnetoelectric coupling provide new opportunities for next-generation spintronic and wearable technologies. In parallel, the unique core–shell morphology offers distinct advantages in drug delivery, such as high loading efficiency, sequential or sustained release, and protection of bioactive agents, which are crucial for wound healing, tissue engineering, and targeted therapies. Also, this review highlights recent progress in core–shell nanofiber-based electrodes for HT-PEMFCs, DEFCs, and IT-SOFCs, emphasizing their role in enhancing catalytic activity, stability, and ionic conductivity. These advancements pave the way for high-efficiency and durable fuel cell technologies for next-generation, efficient, and sustainable fuel cell systems. We further summarize the progress in electrospinning and other fabrication techniques that enables scalable production of uniform core–shell nanofibers, along with critical insights into structure–property relationships, challenges, and future perspectives. This review highlights the multifunctional potential of core–shell nanofibers as a transformative platform for next-generation devices and healthcare solutions, bridging developments in the electronic and biomedical domains.
{"title":"Development of core–shell nanofibers in magnetoelectric sensors, fuel cells, and drug-delivery applications: a review","authors":"Sandeep Kumar Yadav, Vishwa Prakash Jha, Durga Prasad Pabba and Arun Thirumurugan","doi":"10.1039/D5SE01377A","DOIUrl":"https://doi.org/10.1039/D5SE01377A","url":null,"abstract":"<p >Core–shell nanofibers have emerged as a versatile class of nanostructured materials due to their unique ability to integrate multiple functionalities within a single architecture. Their coaxial geometry, which combines core and shell domains, allows for precise control over composition, interfacial interactions, and surface characteristics, making them highly attractive for advanced electronic and biomedical applications. This review highlights recent advancements in the design, synthesis, and application of core–shell nanofibers, with a focus on their roles in magnetoelectric devices and drug delivery systems. For magnetoelectric devices, core–shell nanofibers provide efficient coupling between magnetic and electric order parameters, enabling the development of miniaturized, flexible, high-sensitivity sensors, energy harvesters, and transducers. Their high aspect ratio, tunable interfacial stress transfer, and enhanced magnetoelectric coupling provide new opportunities for next-generation spintronic and wearable technologies. In parallel, the unique core–shell morphology offers distinct advantages in drug delivery, such as high loading efficiency, sequential or sustained release, and protection of bioactive agents, which are crucial for wound healing, tissue engineering, and targeted therapies. Also, this review highlights recent progress in core–shell nanofiber-based electrodes for HT-PEMFCs, DEFCs, and IT-SOFCs, emphasizing their role in enhancing catalytic activity, stability, and ionic conductivity. These advancements pave the way for high-efficiency and durable fuel cell technologies for next-generation, efficient, and sustainable fuel cell systems. We further summarize the progress in electrospinning and other fabrication techniques that enables scalable production of uniform core–shell nanofibers, along with critical insights into structure–property relationships, challenges, and future perspectives. This review highlights the multifunctional potential of core–shell nanofibers as a transformative platform for next-generation devices and healthcare solutions, bridging developments in the electronic and biomedical domains.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 3","pages":" 728-761"},"PeriodicalIF":4.1,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/se/d5se01377a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Maharani Dewi Solikhah, Soni Solistia Wirawan, Anto Tri Sugiarto, Dyah Wulandani, Shoji Hagiwara, Tetsuya Araki, Hiroshi Nabetani and Yohanes Aris Purwanto
To achieve sustainable and low-waste biodiesel production, a catalyst-free process was investigated by using superheated methanol vapor (SMV) at atmospheric pressure. This process eliminates catalyst procurement costs, reduces requirements for water washing and associated equipment, and lowers expenses for catalyst waste treatment. The effects of bubble column reactor design such as the use of packing, reaction time, and reaction temperature on the conversion of palm fatty acid distillate (PFAD) into fatty acid methyl ester (FAME) have been investigated. The application of packing at temperatures of 240–270 °C successfully increases the contact area between methanol bubbles and the oil, hence providing better reaction performance of the SMV process while applying lower temperature and pressure compared to supercritical processing. The results showed that the FAME concentration in the product can reach 97.5 wt% which meets the quality standard. The highest conversion is obtained at 90.6% exceeding the previous research on the SMV process. The effects of reaction temperature, time, and reactor design on the conversion of PFAD into FAME have been elucidated.
{"title":"Sustainable biodiesel production: catalyst-free palm fatty acid distillate conversion to methyl esters by using a superheated methanol vapor process","authors":"Maharani Dewi Solikhah, Soni Solistia Wirawan, Anto Tri Sugiarto, Dyah Wulandani, Shoji Hagiwara, Tetsuya Araki, Hiroshi Nabetani and Yohanes Aris Purwanto","doi":"10.1039/D5SE01182E","DOIUrl":"https://doi.org/10.1039/D5SE01182E","url":null,"abstract":"<p >To achieve sustainable and low-waste biodiesel production, a catalyst-free process was investigated by using superheated methanol vapor (SMV) at atmospheric pressure. This process eliminates catalyst procurement costs, reduces requirements for water washing and associated equipment, and lowers expenses for catalyst waste treatment. The effects of bubble column reactor design such as the use of packing, reaction time, and reaction temperature on the conversion of palm fatty acid distillate (PFAD) into fatty acid methyl ester (FAME) have been investigated. The application of packing at temperatures of 240–270 °C successfully increases the contact area between methanol bubbles and the oil, hence providing better reaction performance of the SMV process while applying lower temperature and pressure compared to supercritical processing. The results showed that the FAME concentration in the product can reach 97.5 wt% which meets the quality standard. The highest conversion is obtained at 90.6% exceeding the previous research on the SMV process. The effects of reaction temperature, time, and reactor design on the conversion of PFAD into FAME have been elucidated.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 2","pages":" 633-646"},"PeriodicalIF":4.1,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146001895","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}
A graphical abstract is available for this content
此内容的图形摘要可用
{"title":"A new chapter for Sustainable Energy & Fuels","authors":"None","doi":"10.1039/D5SE90094H","DOIUrl":"https://doi.org/10.1039/D5SE90094H","url":null,"abstract":"<p >A graphical abstract is available for this content</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 1","pages":" 12-13"},"PeriodicalIF":4.1,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904398","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}
Quadruple perovskite oxides (QPOs), AA'3B4O12, exhibit a cationic order of 1 : 3 at the A site, with 25% of the A site occupied by conventional A-site cations with icosahedral coordination and 75% occupied by A′ ions with pseudosquare planar coordination. Traditional 3d transition metal ions occupy the B site with octahedral coordination. This complex crystal structure provides multiple metal sites (A, A′, and B), which act as active centers for the oxygen evolution reaction (OER) in water electrolysis. Therefore, the intrinsic OER activity and the stability of QPOs have been significantly improved. In recent years, extensive experimental and theoretical research has been conducted on QPOs, and many QPOs have been synthesized under high-pressure and high-temperature conditions. These QPOs exhibited superior intrinsic OER activity and stability compared to advanced perovskite oxide-based catalysts. This is attributed to the complex crystal structure of the QPO and its electronic interaction between the A′- and B-sites. Nowadays, the QPO has become a promising candidate for OER electrocatalysts, which prompts us to review the latest developments in this thriving research field. However, relatively few comprehensive reviews have been published on this important topic to date. This article reviews the systematic research on the OER activity of QPOs in recent years, in which multiple transition metal ions are located at different crystal sites. It is expected that this timely review will not only deepen our understanding of the OER mechanism in QPOs but also provide guidance for designing the next generation of OER electrocatalysts in the future.
四重钙钛矿氧化物(QPOs) AA‘3B4O12在a位表现出1:3的阳离子顺序,其中25%的a位被具有二十面体配位的常规a位阳离子占据,75%的a ’离子被具有伪方平面配位的a '离子占据。传统的三维过渡金属离子以八面体配位占据B位。这种复杂的晶体结构提供了多个金属位(A, A '和B),它们在水电解过程中充当析氧反应(OER)的活性中心。因此,QPOs的内在OER活性和稳定性得到了显著提高。近年来,人们对QPOs进行了广泛的实验和理论研究,并在高压和高温条件下合成了许多QPOs。与先进的钙钛矿氧化物基催化剂相比,这些QPOs具有优越的内在OER活性和稳定性。这是由于QPO的复杂晶体结构及其在A ‘ -和b ’位之间的电子相互作用。目前,QPO已成为OER电催化剂的一个很有前途的候选材料,这促使我们对这一蓬勃发展的研究领域的最新进展进行回顾。然而,迄今为止,关于这一重要主题的综合评论相对较少。本文综述了近年来对多个过渡金属离子位于不同晶体位置的QPOs的OER活性的系统研究。期望这篇及时的综述不仅能加深我们对qpo中OER机理的理解,也能为未来设计下一代OER电催化剂提供指导。
{"title":"Recent advances in quadruple perovskite oxide-based electrocatalysts for oxygen evolution reactions: a review","authors":"Jie Ding and Xinhua Zhu","doi":"10.1039/D5SE01289A","DOIUrl":"https://doi.org/10.1039/D5SE01289A","url":null,"abstract":"<p >Quadruple perovskite oxides (QPOs), AA'<small><sub>3</sub></small>B<small><sub>4</sub></small>O<small><sub>12</sub></small>, exhibit a cationic order of 1 : 3 at the A site, with 25% of the A site occupied by conventional A-site cations with icosahedral coordination and 75% occupied by A′ ions with pseudosquare planar coordination. Traditional 3d transition metal ions occupy the B site with octahedral coordination. This complex crystal structure provides multiple metal sites (A, A′, and B), which act as active centers for the oxygen evolution reaction (OER) in water electrolysis. Therefore, the intrinsic OER activity and the stability of QPOs have been significantly improved. In recent years, extensive experimental and theoretical research has been conducted on QPOs, and many QPOs have been synthesized under high-pressure and high-temperature conditions. These QPOs exhibited superior intrinsic OER activity and stability compared to advanced perovskite oxide-based catalysts. This is attributed to the complex crystal structure of the QPO and its electronic interaction between the A′- and B-sites. Nowadays, the QPO has become a promising candidate for OER electrocatalysts, which prompts us to review the latest developments in this thriving research field. However, relatively few comprehensive reviews have been published on this important topic to date. This article reviews the systematic research on the OER activity of QPOs in recent years, in which multiple transition metal ions are located at different crystal sites. It is expected that this timely review will not only deepen our understanding of the OER mechanism in QPOs but also provide guidance for designing the next generation of OER electrocatalysts in the future.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 2","pages":" 546-571"},"PeriodicalIF":4.1,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146001888","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}