Industrial Chemistry & Materials最新文献

Nitrogen doped hierarchical porous carbon for supercapacitors and zinc ion hybrid capacitors† 超级电容器和锌离子杂化电容器用氮掺杂分层多孔碳†

Industrial Chemistry & Materials Pub Date : 2025-06-20 DOI: 10.1039/D5IM00044K

Jun Ni, Weijian Chen, Xinyang Zhang, Hui Xu, Minghui Zhang and Xiaoliang Wu

{"title":"Nitrogen doped hierarchical porous carbon for supercapacitors and zinc ion hybrid capacitors†","authors":"Jun Ni, Weijian Chen, Xinyang Zhang, Hui Xu, Minghui Zhang and Xiaoliang Wu","doi":"10.1039/D5IM00044K","DOIUrl":"https://doi.org/10.1039/D5IM00044K","url":null,"abstract":"Heteroatom-doped hierarchical porous carbon materials demonstrate significant promise for energy storage applications. In this paper, nitrogen-doped hierarchical porous carbon (NPC) materials were synthesized by one-step carbonization process using agar as the carbon precursor, urea as the nitrogen precursor, and KHCO3 as the activating agent. Owing to the combined influence of substantial nitrogen and oxygen functional groups, interconnected hierarchical porous structure and large specific surface area, the NPC-600 electrode delivers a high specific capacitance of 450 F g−1 and remarkable cyclic stability. Moreover, the NPC-600//NPC-600 symmetrical supercapacitor delivers an energy density of 29.41 Wh kg−1 and good cyclic performance. More interestingly, a zinc ion hybrid capacitor (ZIHC) constructed with NPC-600 as the positive electrode achieves a capacitance of 368.78 F g−1 (163.9 mAh g−1), an energy density reaching 120.75 Wh kg−1 and superior cyclic characteristics. The research affords a straightforward way for fabricating heteroatom-doped porous carbon as electrode for supercapacitor and ZIHCs.Keywords: Hierarchical porous carbon; KHCO3; Agar; Supercapacitor; Zinc ion hybrid capacitor.","PeriodicalId":29808,"journal":{"name":"Industrial Chemistry & Materials","volume":" 4","pages":" 475-484"},"PeriodicalIF":0.0,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/im/d5im00044k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144641063","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

Coarse-grained models for ionic liquids and applications to biological and electrochemical systems 离子液体的粗粒度模型及其在生物和电化学系统中的应用

Industrial Chemistry & Materials Pub Date : 2025-06-09 DOI: 10.1039/D5IM00021A

Yang Ge, Qiang Zhu, Xueping Wang and Jing Ma

{"title":"Coarse-grained models for ionic liquids and applications to biological and electrochemical systems","authors":"Yang Ge, Qiang Zhu, Xueping Wang and Jing Ma","doi":"10.1039/D5IM00021A","DOIUrl":"https://doi.org/10.1039/D5IM00021A","url":null,"abstract":"Ionic liquids (ILs) are a class of molten salts with a collection of exciting properties and have been employed for wide-ranging applications across chemistry, biology, and materials science. However, the high viscosity of ionic liquids challenges atomistic molecular dynamics (MD) simulations in studying their structure–property relationships on large spatiotemporal scales. Coarse-grained (CG) models provide insight into the microscopic structure and intermolecular interactions underlying various properties by eliminating unnecessary atomic details. The general protocol for proposing a new CG model is reviewed, including determination of CG representation and force field (FF) parameterization. Recent advances in polarizable CG models were discussed with the emphasis on Drude oscillators and QM-based polarizable models. An overview was given on some recent applications of machine learning (ML) techniques on development of CG potentials, including the utilization of an ML surrogate model for FF parameterization and the development of ML potentials. Applications and challenges of IL CG models in treating complex systems, including pure solvents, mixtures, biological systems, and electrochemically confined environments, were presented. Finally, prospects for the development of transferable IL CG models are highlighted to extend the applicability to more mesoscopic systems.Keywords: Ionic liquids; Coarse-grained models; Polarization effect; Machine learning; Molecular dynamics simulation.","PeriodicalId":29808,"journal":{"name":"Industrial Chemistry & Materials","volume":" 4","pages":" 383-411"},"PeriodicalIF":0.0,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/im/d5im00021a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144641115","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

Green recovery of all-solid-state sodium-ion batteries/lithium-ion batteries by ionic liquids, deep eutectic solvents and low-melting mixture solvents 离子液体、深共晶溶剂和低熔点混合溶剂对全固态钠离子电池/锂离子电池的绿色回收

Industrial Chemistry & Materials Pub Date : 2025-05-28 DOI: 10.1039/D4IM00149D

Yu Chen, Guojian Zhao, Jiayi Dong, Jing Wang, Dexin Dong, Zheng Li, Mengxi Zhao, Zhuojia Shi and Zihang Niu

{"title":"Green recovery of all-solid-state sodium-ion batteries/lithium-ion batteries by ionic liquids, deep eutectic solvents and low-melting mixture solvents","authors":"Yu Chen, Guojian Zhao, Jiayi Dong, Jing Wang, Dexin Dong, Zheng Li, Mengxi Zhao, Zhuojia Shi and Zihang Niu","doi":"10.1039/D4IM00149D","DOIUrl":"https://doi.org/10.1039/D4IM00149D","url":null,"abstract":"All-solid-state sodium-ion batteries (ASIBs) have good application prospects due to the high energy density, high safety and long lifetime. The excessive use of ASIBs in the near future will inevitably lead to the generation of spent batteries, contributing to environmental pollution and resource waste. In this work, we utilize three types of green solvents—ionic liquids (ILs), deep eutectic solvents (DESs), and low-melting mixture solvents (LoMMSs)—to recover both the cathode and solid electrolyte from ASIBs, as well as the cathode and electrolyte from lithium-ion batteries (LIBs). Results show that the leaching efficiency of Na from the cathode and solid electrolyte of ASIBs by LoMMSs could respectively reach as high as 92.8% and 96.7% at a mild temperature of 80 °C, which is higher than that in ILs and DESs. The highest metal leaching efficiency from ASIBs is similar to that from LIBs. Both LoMMSs and leachate are non-flammable when exposed to a high-temperature torch. In addition, 70 anti-solvents are screened to recover metal from the leachate at room temperature, with acetone yielding the highest precipitation efficiency of 92.0%.Keywords: Green solvents; Rechargeable batteries; Solid waste; Green chemistry; Physical properties; Anti-solvents.","PeriodicalId":29808,"journal":{"name":"Industrial Chemistry & Materials","volume":" 4","pages":" 464-474"},"PeriodicalIF":0.0,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/im/d4im00149d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144641117","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

Imidazolium ligand-modified Cu2O catalysts for enhancing C2+ selectivity in CO2 electroreduction via local *CO enrichment† 咪唑配体修饰的Cu2O催化剂通过局部*CO富集增强CO2电还原中C2+的选择性

Industrial Chemistry & Materials Pub Date : 2025-05-22 DOI: 10.1039/D5IM00052A

Rongzhen Chen, Ling Zhang and Yuhang Li

{"title":"Imidazolium ligand-modified Cu2O catalysts for enhancing C2+ selectivity in CO2 electroreduction via local *CO enrichment†","authors":"Rongzhen Chen, Ling Zhang and Yuhang Li","doi":"10.1039/D5IM00052A","DOIUrl":"https://doi.org/10.1039/D5IM00052A","url":null,"abstract":"Electrochemical CO2 reduction (CO2RR) to synthesize multicarbon products is a critical route for sustainable CO2 utilization, yet achieving high selectivity and current density simultaneously remains challenging. While enhancing *CO coverage on catalysts is pivotal for promoting C–C coupling, the dynamic competition between intermediate enrichment and microenvironment regulation necessitates innovative strategies. Here, we employ surface ligand engineering to construct a tunable hydrophobic microenvironment on Cu2O catalysts, using imidazolium-based ionic liquids with alkyl side chains of varying lengths. The optimized OMIm-Cu2O catalyst achieves a C2+ selectivity of 63.3% in alkaline media and 30.7% in acidic media. Mechanistic studies reveal that hydrophobic long-chain ligands elevate local *CO concentration, facilitating efficient C–C coupling. This work highlights microenvironment modulation as a viable pathway to bridge the gap between high efficiency and industria–current–density performance in CO2RR.Keywords: Electrochemical CO2 reduction; C2+ product selectivity; Copper-based catalysts; *CO concentration.","PeriodicalId":29808,"journal":{"name":"Industrial Chemistry & Materials","volume":" 4","pages":" 431-439"},"PeriodicalIF":0.0,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/im/d5im00052a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144646715","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

Outstanding Reviewers for Industrial Chemistry & Materials in 2024 2024年工业化学与材料优秀审稿人

Industrial Chemistry & Materials Pub Date : 2025-05-12 DOI: 10.1039/D5IM90007G

引用次数: 0

Systematic investigation of the role of the epoxides as substrates for CO2 capture in the cycloaddition reaction catalysed by ascorbic acid† 在抗坏血酸催化的环加成反应中，环氧化物作为底物对CO2捕获作用的系统研究

Industrial Chemistry & Materials Pub Date : 2025-04-30 DOI: 10.1039/D5IM00037H

Thalía Ortiz-García, Sergio Posada-Pérez, Layla El-Khchin, David Dalmau, Juan V. Alegre-Requena, Miquel Solà, Valerio D'Elia and Albert Poater

{"title":"Systematic investigation of the role of the epoxides as substrates for CO2 capture in the cycloaddition reaction catalysed by ascorbic acid†","authors":"Thalía Ortiz-García, Sergio Posada-Pérez, Layla El-Khchin, David Dalmau, Juan V. Alegre-Requena, Miquel Solà, Valerio D'Elia and Albert Poater","doi":"10.1039/D5IM00037H","DOIUrl":"https://doi.org/10.1039/D5IM00037H","url":null,"abstract":"This work establishes a comprehensive theoretical framework for synthesizing cyclic organic carbonates, crucial for the polymer industry, through the organocatalytic cycloaddition of carbon dioxide (CO2) to epoxides under mild pressure and temperature conditions. Using advanced computational techniques, the study examines the thermodynamic and kinetic aspects of the reaction, with a particular focus on epoxide substrates featuring diverse substituents. Detailed analysis reveals activation energy barriers and identifies the rate-determining step (rds), offering crucial insights into the molecular processes governing the reaction. An automated data-driven workflow revealed that the buried volume of the epoxide O atoms was among the most influential molecular features affecting reaction barriers. Overall, the findings align with experimental data, offering insights into substrate design for optimized CO2 utilization. This work calls for a systematic exploration of ascorbic acid-based catalyst modifications to optimize energy barriers and improve overall reaction performance, paving the way for rational catalyst design and predictive catalysis in CO2 valorization. The computational study is not limited to basic research or ascorbic acid but is applicable to most catalysts capable of carrying out this reaction in the polymer industry.Keywords: Epoxide; CO2 activation; Sustainable catalysis; Data-driven workflows; DFT calculations; Predictive catalysis; Cycloaddition.","PeriodicalId":29808,"journal":{"name":"Industrial Chemistry & Materials","volume":" 4","pages":" 452-463"},"PeriodicalIF":0.0,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/im/d5im00037h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144641062","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

Tuning the band gap energy of CuxInyS for superior photothermocatalytic CO2 conversion to C2H4† 调整CuxInyS的带隙能量，使其光热催化CO2转化为C2H4†

Industrial Chemistry & Materials Pub Date : 2025-04-17 DOI: 10.1039/D5IM00015G

Longlong Wang, Ruirui Wang, Shuang Wei, Kexin Li, Hasnain Nawaz, Bin He, Mengyue Li and Ruixia Liu

{"title":"Tuning the band gap energy of CuxInyS for superior photothermocatalytic CO2 conversion to C2H4†","authors":"Longlong Wang, Ruirui Wang, Shuang Wei, Kexin Li, Hasnain Nawaz, Bin He, Mengyue Li and Ruixia Liu","doi":"10.1039/D5IM00015G","DOIUrl":"https://doi.org/10.1039/D5IM00015G","url":null,"abstract":"Photothermal catalysis significantly enhances the efficiency of photocatalytic CO2 reduction, offering a promising strategy for accelerated CO2 resource utilization. Herein, a series of CuxInyS photocatalysts were synthesized, exhibiting tunable band gap energy by varying the Cu/In/S atomic ratios for photothermocatalytic CO2 conversion to C2H4. The typical CuInS2 catalyst demonstrates a more negative conduction band, significantly enhancing the electron reduction ability and facilitating the multi-electron reduction of CO2 to C2H4. Additionally, the abundant sulfur vacancies in CuInS2 generate additional active sites, enhance charge separation efficiency, and consequently improve catalytic activity. The generation rate of ethylene reaches 45.7 μmol g−1 h−1 with a selectivity of 79.7%. This study provides a new avenue for producing ethylene in photothermal catalysis, as well as highlighting the superiorities of the CuInS2 catalyst.","PeriodicalId":29808,"journal":{"name":"Industrial Chemistry & Materials","volume":" 4","pages":" 440-451"},"PeriodicalIF":0.0,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/im/d5im00015g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144641116","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

Experimental and theoretical progress on the reduction of Np(vi) with salt-free reagents in the PUREX process PUREX工艺中无盐试剂还原Np（vi）的实验与理论进展

Industrial Chemistry & Materials Pub Date : 2025-04-09 DOI: 10.1039/D5IM00009B

Xin Huang, Xiao-Bo Li, Qun-Yan Wu and Wei-Qun Shi

引用次数: 0

A facile route of Ti decoration for modulating M–O–Ti (M = Ni, Co) and oxygen vacancies on NiCo-LDH electrocatalysts for efficient oxygen evolution reaction 用Ti修饰NiCo-LDH电催化剂上的M - o- Ti （M = Ni, Co）和氧空位，实现高效析氧反应

Industrial Chemistry & Materials Pub Date : 2025-03-26 DOI: 10.1039/D5IM00007F

Jing Xie, Jianhao Du, Pei Chen, Gang Wang, Jinli Zhang, Xiaodong Yang, Aiqun Kong and Feng Yu

{"title":"A facile route of Ti decoration for modulating M–O–Ti (M = Ni, Co) and oxygen vacancies on NiCo-LDH electrocatalysts for efficient oxygen evolution reaction","authors":"Jing Xie, Jianhao Du, Pei Chen, Gang Wang, Jinli Zhang, Xiaodong Yang, Aiqun Kong and Feng Yu","doi":"10.1039/D5IM00007F","DOIUrl":"https://doi.org/10.1039/D5IM00007F","url":null,"abstract":"Bimetallic layered double hydroxides (LDHs) have attracted substantial attention as oxygen evolution reaction (OER) catalysts. In this work, we provide a facile route to prepare Ti-doped NiCo-LDH/NF electrocatalysts with M–O–Ti (M = Ni, Co) covalent bonds via a rapid immersion method for the OER process. The experiments and density functional theory (DFT) calculations elucidate that the doping of Ti (M–O–Ti) not only exfoliates the NiCo-LDH nanosheets into spheres but also causes lattice distortion to produce more oxygen vacancies, which promotes faster exchange of intermediates and improves the electron transfer efficiency. These superior physical characters endow Ti-NiCo-LDH with an excellent overpotential of 319 mV at a current density of 50 mA cm−2, which is markedly lower than that of NiCo-LDH (391 mV at 50 mA cm−2). Even at a high current density of 100 mA cm−2, NiCo-LDH displays an overpotential of 429 mV, whereas Ti-NiCo-LDH is capable of achieving an overpotential of 353 mV. Moreover, the water electrolyzer based on the Ti-NiCo-LDH bifunctional catalyst requires a low cell voltage of 1.60 V to achieve a current density of 10 mA cm−2, and the Ti-NiCo-LDH catalyst has been successfully applied for solar cell-driven water electrolysis and the corresponding voltage is about 1.61 V. This work offers a novel strategy to fabricate high activity NiCo-LDH with rich oxygen vacancies toward the OER process.Keywords: Ti-doping; NiCo-layered double hydroxide; Oxygen vacancy; Oxygen evolution reaction.","PeriodicalId":29808,"journal":{"name":"Industrial Chemistry & Materials","volume":" 3","pages":" 342-352"},"PeriodicalIF":0.0,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/im/d5im00007f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117513","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

Amorphous nanostructured Ni–Fe oxide as a notably active and low-cost oxygen evolution reaction electrocatalyst for anion exchange membrane water electrolysis† 无定形纳米结构Ni-Fe氧化物作为阴离子交换膜电解中活性高、成本低的析氧反应电催化剂

Industrial Chemistry & Materials Pub Date : 2025-03-26 DOI: 10.1039/D5IM00008D

Lorenzo Mirizzi, Mohsin Muhyuddin, Carmelo Lo Vecchio, Erminia Mosca, Vincenzo Baglio, Irene Gatto, Enrico Berretti, Alessandro Lavacchi, Valerio C. A. Ficca, Rosanna Viscardi, Roberto Nisticò and Carlo Santoro

{"title":"Amorphous nanostructured Ni–Fe oxide as a notably active and low-cost oxygen evolution reaction electrocatalyst for anion exchange membrane water electrolysis†","authors":"Lorenzo Mirizzi, Mohsin Muhyuddin, Carmelo Lo Vecchio, Erminia Mosca, Vincenzo Baglio, Irene Gatto, Enrico Berretti, Alessandro Lavacchi, Valerio C. A. Ficca, Rosanna Viscardi, Roberto Nisticò and Carlo Santoro","doi":"10.1039/D5IM00008D","DOIUrl":"https://doi.org/10.1039/D5IM00008D","url":null,"abstract":"The oxygen evolution reaction (OER) is a critical bottleneck in the commercial evolution of anion exchange membrane water electrolyzers (AEMWEs). As a potential substitute for the scarce and expensive noble metal-based electrocatalysts typically used to improve the OER activity, here amorphous NiFe oxides with varying Ni/Fe ratios were synthesized using a simplistic and cost-effective sol–gel method. After carefully investigating the structural and morphological attributes of the derived electrocatalysts, their OER activities were analyzed by acquiring the half-cell measurements. First, the influence of the electrochemical ink formulation and additives on the activity of the electrocatalyst was studied, followed by elucidating the electrocatalyst loading to configure the working electrode on the rotating disk electrode (RDE). By comparing the activities of different synthesized NiFe oxides, it was observed that Ni0.75Fe0.25O delivers the peak performance with a minimum overpotential of ca. 290 mV. Therefore, the aforementioned sample was utilized to configure the anode electrode for a lab-scale AEMWE, achieving 3.7 A cm−2 at 2 V and 80 °C while demonstrating promising stability trends.Keywords: NiFe oxide; AEM-WE; Alkaline media; Inorganic oxides; OER; PGM-free electrocatalysts.","PeriodicalId":29808,"journal":{"name":"Industrial Chemistry & Materials","volume":" 4","pages":" 485-497"},"PeriodicalIF":0.0,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/im/d5im00008d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144641064","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