ACS Omega最新文献_第10页

Density Functional Theory Analysis of Alq3 and Gaq3 Derivatives: Structural Optimization and Electronic Properties for Organic Light-Emitting Diode Applications Alq3和Gaq3衍生物的密度泛函理论分析：用于有机发光二极管的结构优化和电子性能

IF 4.3 3区化学

ACS Omega Pub Date : 2025-08-23 DOI: 10.1021/acsomega.5c03335

Huai-Wen Tsai*, Chung-Chieh Tai and Wen-Ken Li*,

{"title":"Density Functional Theory Analysis of Alq3 and Gaq3 Derivatives: Structural Optimization and Electronic Properties for Organic Light-Emitting Diode Applications","authors":"Huai-Wen Tsai*, Chung-Chieh Tai and Wen-Ken Li*, ","doi":"10.1021/acsomega.5c03335","DOIUrl":"https://doi.org/10.1021/acsomega.5c03335","url":null,"abstract":"This study employs computational quantum mechanics to investigate the impact of molecular and electronic structures on the optical properties of organic light-emitting diodes (OLEDs). First-principles calculations based on density functional theory (DFT) and time-dependent density functional theory (TD-DFT) were used to analyze Mq3 and Mq2p (M = Al or Ga) and their derivatives, where one quinoline ligand was replaced with picolinate and CH/N substitutions were introduced in the qa and qc ligands. The molecular structures were optimized using time-independent DFT, while electronic excitation energies were determined using time-dependent DFT. Based on the optimized ground-state structures, key molecular properties, including bond length, bond angle, dipole moment, band gap, electron cloud energies, ionization energy, electron affinity, and reorganization energy, were systematically computed. Additionally, absorption and emission spectra were examined, revealing tunable Stokes shifts. The results indicate that Gaq3 derivatives exhibit superior structural stability and improved hole-blocking and electron injection capabilities compared to Alq3. These findings offer valuable guidance for designing superior OLED materials, potentially enhancing light emission and electronic transport.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 35","pages":"39724–39735"},"PeriodicalIF":4.3,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c03335","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145009618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Rapid Activation of 3D-Printed Carbon Electrodes by Atmospheric Air Plasma: Toward Electrochemical Drug Analysis 大气空气等离子体快速激活3d打印碳电极：电化学药物分析

IF 4.3 3区化学

ACS Omega Pub Date : 2025-08-23 DOI: 10.1021/acsomega.5c05879

Miroslav Kováč, Katarína Gregová, Ĺubomíŕ́ Švorc, František Zažímal, Tomáš Homola and Pavol Gemeiner*,

{"title":"Rapid Activation of 3D-Printed Carbon Electrodes by Atmospheric Air Plasma: Toward Electrochemical Drug Analysis","authors":"Miroslav Kováč, Katarína Gregová, Ĺubomíŕ́ Švorc, František Zažímal, Tomáš Homola and Pavol Gemeiner*, ","doi":"10.1021/acsomega.5c05879","DOIUrl":"https://doi.org/10.1021/acsomega.5c05879","url":null,"abstract":"This study presents a rapid, environmentally friendly, and scalable activation method for 3D-printed poly(lactic acid)/carbon black (PLA/CB) electrodes using atmospheric air plasma under ambient conditions. The goal was to optimize the plasma activation time and compare its efficiency with conventional activation techniques using N,N-dimethylformamide (DMF) and sodium hydroxide (NaOH). Surface morphology, chemical composition, wettability, and electrochemical performance were systematically evaluated through scanning electron microscopy (SEM), Raman spectroscopy, XPS, contact angle measurements, cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS). Plasma treatment, as short as 5 s, effectively removed the PLA matrix from the electrode surface, enhanced surface roughness, hydrophilicity, and exposure of conductive carbon black particles, leading to increased electrochemical performance. Compared to chemical activation, 40 s of plasma activation yielded comparable performance with significantly shorter processing times (vs NaOH) and without hazardous solvents (such as DMF). Finally, the activated electrodes were successfully applied in the development, optimization, and validation of a novel electrochemical protocol for the determination of the antihypertensive drug amlodipine, revealing high sensitivity, a low limit of detection of 0.09 μM, precision (RSD of 6.6%), and recovery (97.1 and 105.4%) in pharmaceutical formulations. The findings demonstrate the promising potential of air plasma activation as a sustainable and efficient approach for preparing 3D-printed electrodes for analytical and sensing applications.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 35","pages":"40435–40449"},"PeriodicalIF":4.3,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05879","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145009619","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Correction to “In Situ Preparation of Composite Scaffolds Based on Polyurethane and Hydroxyapatite Particles for Bone Tissue Engineering” 对“骨组织工程用聚氨酯-羟基磷灰石颗粒复合支架的原位制备”的修正

IF 4.3 3区化学

ACS Omega Pub Date : 2025-08-22 DOI: 10.1021/acsomega.5c05310

Thátila Wanessa Vieira de Sousa, Fernando da Silva Reis, Wanderson Gabriel Gomez de Melo, Aditya M. Rai, Mahendra Rai, Anderson O. Lobo, Napoleão Martins Argôlo Neto and José Milton E. de Matos*,

引用次数: 0

Enhanced Strain Properties in KNN-Based Lead-free Piezoelectric Multilayer Actuators by Low-Temperature Texture Engineering 低温织构工程增强knn基无铅压电多层致动器应变性能

IF 4.3 3区化学

ACS Omega Pub Date : 2025-08-22 DOI: 10.1021/acsomega.5c05074

Jingkai Nie, Ning Qiu, Shicheng Zhang*, Qiang He, Xiaogang Chen, Yu Han, Yi Tian and Chen Tian,

{"title":"Enhanced Strain Properties in KNN-Based Lead-free Piezoelectric Multilayer Actuators by Low-Temperature Texture Engineering","authors":"Jingkai Nie, Ning Qiu, Shicheng Zhang*, Qiang He, Xiaogang Chen, Yu Han, Yi Tian and Chen Tian, ","doi":"10.1021/acsomega.5c05074","DOIUrl":"https://doi.org/10.1021/acsomega.5c05074","url":null,"abstract":"In response to the demand for lead-free replacement of multilayer piezoelectric actuators (MLAs), KNN-based lead-free piezoceramics with high curie temperatures and environmental friendliness are selected for the application study. To improve the piezoelectric properties of piezoelectric ceramics, a texture approach was adopted, and 0.2% CuO was added as a sintering aid; the TGG texturing technique was combined with the stacked element cofiring technique. Finally, we investigate the relevant properties of KNN-based multilayer piezoelectric actuators. Here, a compositional system of 0.96(Na0.5K0.5)(Nb0.965Sb0.035)O3-0.01CaZrO3-0.03(K0.5Bi0.5HfO3) (KNNS-KBH-CZ) was chosen to fabricate multilayer piezoelectric actuators. The texturing degree of KNNS-KBH-CZ/CuO reaches as high as 75%, leading to a high strain performance (strain of 0.14%, d33* of 466 pm/V) under a low electric field (3 kV/mm), highlighting the potential application of KNN-based piezoelectric ceramics in the field of piezoelectric actuators.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 34","pages":"38995–39001"},"PeriodicalIF":4.3,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05074","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144924842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Liposomes Carrying Surface-Conjugated Trypsin for Controlled Proteolysis Reactions 携带表面结合胰蛋白酶的脂质体用于控制蛋白水解反应

IF 4.3 3区化学

ACS Omega Pub Date : 2025-08-22 DOI: 10.1021/acsomega.5c06073

Mikiya Wakabayashi, Noriko Yoshimoto and Makoto Yoshimoto*,

{"title":"Liposomes Carrying Surface-Conjugated Trypsin for Controlled Proteolysis Reactions","authors":"Mikiya Wakabayashi, Noriko Yoshimoto and Makoto Yoshimoto*, ","doi":"10.1021/acsomega.5c06073","DOIUrl":"https://doi.org/10.1021/acsomega.5c06073","url":null,"abstract":"Control of the proteolytic activity of trypsin is an important challenge in proteomics and food engineering. In this work, trypsin was covalently conjugated to lipid membranes possessing poly(ethylene glycol) in a 0.1 M sodium phosphate buffer solution (pH = 7.0) to control the enzyme functions using a liposomal environment. The amount of trypsin conjugated per liposome membrane area was maximized based on the size of the polymer chain of liposomes and the type of cross-linker (glutaraldehyde or tris-succinimidyl aminotriacetate). The secondary structure of trypsin was altered through the conjugation reaction, as revealed with circular dichroism measurements and spectral analyses. Stability of trypsin at 40–60 °C significantly increased through being conjugated to liposomes, whereas free trypsin was clearly deactivated even at 40 °C in an enzyme concentration-dependent manner, indicating the involvement of autolysis mechanism. Liposome-conjugated trypsin was applied to catalyze the digestion of bovine serum albumin at 37 °C and a substrate/trypsin weight ratio of 100. The proteolysis rate observed with liposome-conjugated trypsin was smaller than that of the free enzyme, while the rate clearly depended on the characteristics of liposomes. The results obtained demonstrate that liposomes carrying surface-conjugated trypsin are biocompatible, heat stable, and reactivity-controllable catalysts for proteolysis reactions.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 35","pages":"40534–40543"},"PeriodicalIF":4.3,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06073","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145009562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Preparation and Self-Growth Characteristics of In Situ Self-Growing Dispersed Gel System for Offshore Large-Well-Distance Reservoirs 海上大井距油藏原位自生长分散凝胶体系的制备及其自生长特性

IF 4.3 3区化学

ACS Omega Pub Date : 2025-08-22 DOI: 10.1021/acsomega.5c05757

Yuanyuan Bai*, Yang Wen, Wanfen Pu, Wen Fang and Xing Jin*,

{"title":"Preparation and Self-Growth Characteristics of In Situ Self-Growing Dispersed Gel System for Offshore Large-Well-Distance Reservoirs","authors":"Yuanyuan Bai*, Yang Wen, Wanfen Pu, Wen Fang and Xing Jin*, ","doi":"10.1021/acsomega.5c05757","DOIUrl":"https://doi.org/10.1021/acsomega.5c05757","url":null,"abstract":"The loose sandstone oil reservoirs in the sea mostly adopt gravel packing completion, which leads to a decrease in permeability in the near-well area. Conventional blocking agents were difficult to simultaneously meet the requirements of water cut reduction and oil production increase. Therefore, this paper constructs a temperature-resistant in situ self-growing dispersed gel system and evaluates its displacement performance. The research results show that the formulation of the dispersed gel system is optimized through thermogravimetric analysis, with the monomer concentration determined to be 12 wt % and the cross-linking agent concentration determined to be 0.7 wt %. To improve injectability, the initial water content of the preinjected emulsion is selected as 40%, and its solubilization ability is determined to be 498.8%. During the solubilization process (from 40% to 80% water content), the viscosity increases from 67.89 to 3836 mPa·s. The influence of the change in emulsion water content during the solubilization process on the particle size of the dispersed gel particles is clarified; that is, the particle size first increases and then decreases, reaching the maximum at 70%, and the particle size distribution range becomes wider. In addition, this dispersed gel system shows good strength and long-term stability under different salinities. This study provides a new idea for controlling water and increasing oil production in large well-spacing, loose sandstone oil reservoirs in the sea.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 35","pages":"40450–40459"},"PeriodicalIF":4.3,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05757","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145009610","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Structure-Based Approach for Predicting Odor Similarity of Molecules via Docking Simulations with Human Olfactory Receptors 基于结构的分子气味相似性预测方法与人类嗅觉受体对接模拟

IF 4.3 3区化学

ACS Omega Pub Date : 2025-08-22 DOI: 10.1021/acsomega.5c04324

Hirotada Kaneshiro, Masakazu Sato, Airi Tanaka, Shuya Nakata, Yoshiko Aihara, Hirotaka Kitoh-Nishioka, Yoshiharu Mori and Shigenori Tanaka*,

{"title":"A Structure-Based Approach for Predicting Odor Similarity of Molecules via Docking Simulations with Human Olfactory Receptors","authors":"Hirotada Kaneshiro, Masakazu Sato, Airi Tanaka, Shuya Nakata, Yoshiko Aihara, Hirotaka Kitoh-Nishioka, Yoshiharu Mori and Shigenori Tanaka*, ","doi":"10.1021/acsomega.5c04324","DOIUrl":"https://doi.org/10.1021/acsomega.5c04324","url":null,"abstract":"The mechanisms underlying human odor recognition remain largely unclear, making it challenging to predict the scent of a novel molecule based solely on its molecular structure. Unlike taste, which is classified into a limited number of categories, odor perception is highly complex and lacks universally defined labels, rendering absolute odor classification inherently ambiguous. To address this issue, we propose a relative evaluation framework for odor prediction, focusing on odor similarity rather than absolute descriptors. In this study, we constructed three-dimensional structures of approximately 400 human olfactory receptors (hORs) using AlphaFold2 and performed molecular docking simulations with odorant compounds. Each odorant was represented as a 409-dimensional docking score vector, and odor similarity was inferred by comparing these vectors statistically. To evaluate the effectiveness of this approach, we used odorant molecules from the ATLAS database and tested whether molecules with similar docking profiles correspond to similar olfactory perceptions. Our results demonstrate that the proposed docking-based method enables the relative prediction of odor similarity between molecules, even for compounds not included in the reference database. This method offers a promising alternative to traditional QSAR-based approaches relying solely on molecular structural similarity, and provides a structure-based, receptor-level framework for computational olfaction.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 35","pages":"39933–39945"},"PeriodicalIF":4.3,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c04324","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145009616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Moringa oleifera and Polyaluminum Chloride: Coagulant Combinations for Cyanobacteria Removal in Drinking Water 辣木和聚合氯化铝：混凝剂组合去除饮用水中的蓝藻

IF 4.3 3区化学

ACS Omega Pub Date : 2025-08-22 DOI: 10.1021/acsomega.5c03206

Camila Laschiwitz Beghetto, Rúbia Martins Bernardes Ramos, Pablo Inocêncio Monteiro, Fatima de Jesus Bassetti and Lucila Adriani de Almeida Coral*,

{"title":"Moringa oleifera and Polyaluminum Chloride: Coagulant Combinations for Cyanobacteria Removal in Drinking Water","authors":"Camila Laschiwitz Beghetto, Rúbia Martins Bernardes Ramos, Pablo Inocêncio Monteiro, Fatima de Jesus Bassetti and Lucila Adriani de Almeida Coral*, ","doi":"10.1021/acsomega.5c03206","DOIUrl":"https://doi.org/10.1021/acsomega.5c03206","url":null,"abstract":"Cyanobacteria represent a significant problem for water treatment systems due to their ability to form blooms, release harmful toxins, and decrease the efficiency of water treatment processes. This study investigated the efficacy of a natural coagulant and its combination with a chemical coagulant to remove cyanobacteria from water. The combination with natural coagulants reduces residual aluminum concentrations in the sludge and treated water and lowers process costs. A dosage of 20 mg L–1 of Moringa oleifera was identified as the most effective for the removal of turbidity (≈82%), color (67–76%), and cell density (88–97%). The proportion of 75% Moringa oleifera and 25% polyaluminum chloride was the optimal condition for cell removal (95%) and resulted in a low residual aluminum concentration in the treated water (0.030 mg L–1). The seasonal variation of cyanobacteria in the C/F/DAF treatment showed that 50% Microcystis aeruginosa and 50% Cylindrospermopsis raciborskii achieved the most effective removal of turbidity (94%) and cell density (≈99%). The color removal for this cell proportion was 80%. Based on the results, treatment efficiency was not affected by cell density or cell morphology. The analysis of dissolved organic carbon and total dissolved carbon showed no variation for most of the samples after C/F/DAF treatment. This study demonstrated the efficiency of combining coagulants, highlighting the potential of Moringa oleifera as a sustainable water treatment alternative.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 35","pages":"39712–39723"},"PeriodicalIF":4.3,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c03206","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145009563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Controls of Geological Factors on H2 Adsorption in the Subsurface 地质因素对地下H2吸附的控制

IF 4.3 3区化学

ACS Omega Pub Date : 2025-08-22 DOI: 10.1021/acsomega.5c04509

Xiaoqiang Li, Clifford C. Walters, Tongwei Zhang* and Xun Sun,

{"title":"Controls of Geological Factors on H2 Adsorption in the Subsurface","authors":"Xiaoqiang Li, Clifford C. Walters, Tongwei Zhang* and Xun Sun, ","doi":"10.1021/acsomega.5c04509","DOIUrl":"https://doi.org/10.1021/acsomega.5c04509","url":null,"abstract":"Underground hydrogen storage has been regarded as a sustainable and reliable way to maintain a stable national-scale energy supply in the development of the hydrogen economy. Various risks influencing subsurface H2 recovery due to interactions between H2, water, and rocks remain to be evaluated thoroughly. In this study, the effects of geological factors on H2 sorption are discussed among the organic-matter-rich and lean samples. The measurements of H2 and CH4 adsorption on coals with different maturities and smectite, which has large pore surface areas but no organic oxygen-functional groups, were made at temperatures from 35 to 65 °C and pressures up to 15 MPa. The adsorbed amounts of H2 and CH4 in coal samples were much higher than those in smectite at different temperatures, as verified by Langmuir monolayer modeling. Our study indicates that the BET surface area of the sample material is an important factor influencing H2 sorption, providing the sorption sites on the rock surface, but this will greatly be influenced by the chemical structures due to the interaction of H2 with organic oxygen-containing functional groups. This is verified by a comparison of H2 sorption between coals and smectite. For the hydrogen geological storage, we find that at least 30% more H2 can be stored in the coal seam due to mainly physical sorption, compared with the H2 amounts in the free phase at the same geological condition. Our study deepens our understanding of the controlling effect of geological factors on H2 storage in the subsurface.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 35","pages":"39984–39993"},"PeriodicalIF":4.3,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c04509","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145009611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Engineering Cobalt-Based Bimetallic Compounds via NH4F-Directed ZIF67 Transformation for Battery–Supercapacitor Hybrids with Enhanced Energy Storage Performance 工程钴基双金属化合物通过nh4f定向ZIF67转化为电池-超级电容器混合动力车，提高储能性能

IF 4.3 3区化学

ACS Omega Pub Date : 2025-08-22 DOI: 10.1021/acsomega.5c04906

Tsai-Mu Cheng*, Yi-An Lu, Pin-Chun Lee, Chutima Kongvarhodom, Sadang Husain, Sibidou Yougbaré, Hung-Ming Chen and Lu-Yin Lin*,

{"title":"Engineering Cobalt-Based Bimetallic Compounds via NH4F-Directed ZIF67 Transformation for Battery–Supercapacitor Hybrids with Enhanced Energy Storage Performance","authors":"Tsai-Mu Cheng*, Yi-An Lu, Pin-Chun Lee, Chutima Kongvarhodom, Sadang Husain, Sibidou Yougbaré, Hung-Ming Chen and Lu-Yin Lin*, ","doi":"10.1021/acsomega.5c04906","DOIUrl":"https://doi.org/10.1021/acsomega.5c04906","url":null,"abstract":"Cobalt-based compounds have attracted considerable attention as electroactive materials for energy storage owing to their high theoretical capacitance and cost-effectiveness. Zeolitic imidazolate framework-67 (ZIF67) is a cobalt-containing metal–organic framework that features a high surface area and a tunable porous architecture, but inherently low conductivity limits its electrochemical performance. To address this issue, structure-directing agents (SDAs) have been employed to enhance the surface characteristics and energy storage behavior of ZIF67 derivatives. In particular, the redox activity of battery-type electrodes is largely governed by the nature of the metal species involved. In this study, a series of cobalt-based bimetallic compounds incorporating Ni, Cu, Al, Zn, and Mn are synthesized using NH4F as the SDA in 2-methylimidazole medium. Morphology and composition of the resulting materials are strongly dependent on the secondary metal species. The cobalt–nickel (CoNi) electrode achieves the highest specific capacitance (CF) of 997.3 F/g at 20 mV/s, attributed to the synergistic redox behavior of cobalt and nickel. The contributions from both diffusion-controlled and surface-capacitive processes are also quantitatively assessed. A BSH assembled using the CoNi and carbon electrodes achieves a maximum energy density of 9.2 Wh/kg at 375 W/kg, along with a CF retention of 83.1% and a Coulombic efficiency of 94.2% after 10,000 cycles.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 35","pages":"40089–40100"},"PeriodicalIF":4.3,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c04906","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145009614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0