The rational construction of Ti3C2Tx MXene-based composites has been deemed as a popular way to improve their electrochemical energy storage performances owing to the unique two-dimensional (2D) structure, excellent conductivity, and good flexibility. However, it remains a major challenge to assemble mesoporous carbon onto Ti3C2Tx with fewer oxygen-containing groups by using surfactants with short hydrophilic segments. In the work, we propose a molecular engineering assembly strategy for the growth of N,P co-doped mesoporous carbon onto Ti3C2Tx nanosheets (NPMC/Ti3C2Tx) under the assistance of phytic acid by using melamine-formaldehyde resin and pluronic P123 (PEO20PPO70PEO20) as the carbon/nitrogen source and soft template, respectively. The detailed investigations reveal that phytic acid with abundant hydroxyl groups can effectively enhance the hydrogen bond interactions among P123, carbon precursor, and Ti3C2Tx nanosheets, thus ensuring the efficient assembly of mesoporous carbon onto Ti3C2Tx. The obtained NPMC/Ti3C2Tx composite demonstrates a set of merits, including cylindrical mesopore, N,P co-doping, and a good combination of mesoporous carbon and Ti3C2Tx nanosheets. As a result, it exhibits an improved lithium-ion storage performance, delivering a high reversible capacity of 556.3 mA h g−1 after 100 cycles at 0.1 A g−1. The present work provides a feasible molecular engineering assembly route for the rational design of high-performance Ti3C2Tx MXene-based electrodes.
摘要:Ti - c2t - MXene基复合材料具有独特的二维结构、优异的导电性和良好的柔韧性,因此合理构建Ti - c2t - MXene基复合材料被认为是提高其电化学储能性能的一种流行方法。然而,通过使用具有短亲水段的表面活性剂,将介孔碳组装到含氧基团较少的ti3c2tx上仍然是一个主要的挑战。在这项工作中,我们提出了一种分子工程组装策略,以三聚氰胺甲醛树脂和pluronic P123 (PEO 20 PPO 70 PEO 20)分别作为碳/氮源和软模板,在植酸的帮助下,在Ti 3c2tx纳米片上生长N,P共掺杂的介孔碳(NPMC/Ti 3c2tx)。详细的研究表明,含有丰富羟基的植酸可以有效地增强P123、碳前驱体和ti3c2tx纳米片之间的氢键相互作用,从而保证介孔碳在ti3c2tx上的高效组装。所获得的NPMC/ ti3c2tx复合材料表现出一系列优点,包括圆柱形介孔,N,P共掺杂,以及介孔碳和ti3c2tx纳米片的良好结合。因此,它表现出改进的锂离子存储性能,在0.1 ag - 1下循环100次后提供556.3 mA h g - 1的高可逆容量。本研究为合理设计高性能ti3c2txmxene电极提供了一条可行的分子工程组装路线。
{"title":"Molecular engineering assembly of mesoporous carbon onto Ti3C2Tx MXene for enhanced lithium-ion storage","authors":"Haitao Li, Fengting Lv, Xiao Fang, Guanjia Zhu, Wei Yu, Haijiao Zhang","doi":"10.1002/cnl2.93","DOIUrl":"10.1002/cnl2.93","url":null,"abstract":"<p>The rational construction of Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> MXene-based composites has been deemed as a popular way to improve their electrochemical energy storage performances owing to the unique two-dimensional (2D) structure, excellent conductivity, and good flexibility. However, it remains a major challenge to assemble mesoporous carbon onto Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> with fewer oxygen-containing groups by using surfactants with short hydrophilic segments. In the work, we propose a molecular engineering assembly strategy for the growth of N,P co-doped mesoporous carbon onto Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> nanosheets (NPMC/Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub>) under the assistance of phytic acid by using melamine-formaldehyde resin and pluronic P123 (PEO<sub>20</sub>PPO<sub>70</sub>PEO<sub>20</sub>) as the carbon/nitrogen source and soft template, respectively. The detailed investigations reveal that phytic acid with abundant hydroxyl groups can effectively enhance the hydrogen bond interactions among P123, carbon precursor, and Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> nanosheets, thus ensuring the efficient assembly of mesoporous carbon onto Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub>. The obtained NPMC/Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> composite demonstrates a set of merits, including cylindrical mesopore, N,P co-doping, and a good combination of mesoporous carbon and Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> nanosheets. As a result, it exhibits an improved lithium-ion storage performance, delivering a high reversible capacity of 556.3 mA h g<sup>−1</sup> after 100 cycles at 0.1 A g<sup>−1</sup>. The present work provides a feasible molecular engineering assembly route for the rational design of high-performance Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> MXene-based electrodes.</p>","PeriodicalId":100214,"journal":{"name":"Carbon Neutralization","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnl2.93","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135854606","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}
Zhiqian Cao, Guangyao Hu, Weixing Feng, Jie Ru, Yujin Li
Two-dimensional (2D) transition metal carbonitrides/nitrides (MXene) materials have proven to be promising alternatives as novel capacitor-type electrodes for aqueous Zn-ion hybrid microsupercapacitors (ZHMSCs). However, during self-assembly processes, serious restacking between 2D MXene nanosheets induced by strong van der Waals forces makes ion transport channels narrow within the compact MXene film electrodes, which would result in poor energy output of ZHMSCs. Herein, interlayer transport channel engineering is designed by intercalating bacterial cellulose (BC) between MXene interlayers to develop MXene/BC electrodes with fast ion transport channels in contrast to pure MXene electrodes. Benefiting from fast anion intercalation/deintercalation on MXene/BC capacitor-type cathode and reversible Zn stripping/plating on Zn foil anode, the fabricated ZHMSCs exhibit wide working potential windows (1.36 V), high areal capacitance (404 mF cm−2), and landmark areal energy density (94 µWh cm−2 at 1 mA cm−2). The areal capacitance and energy density of the developed ZHMSCs are much higher than those of the ZHMSCs based on pure MXene capacitor-type cathode (239 mF cm−2/57 µWh cm−2 at 1 mA cm−2). Besides, the developed ZHMSCs can perform more than 10,000 cycles, showing outstanding capacity retention. In general, our work provides a novel strategy to break through the performance bottlenecks afflicting MXene-based ZHMSCs.
二维(2D)过渡金属碳氮化物/氮化物(MXene)材料已被证明是一种很有前途的替代材料,可作为新型电容器型电极用于水性锌离子混合微超级电容器(ZHMSCs)。然而,在自组装过程中,由强范德华力引起的二维MXene纳米片之间严重的再堆积使得紧凑的MXene薄膜电极内的离子传输通道变窄,这将导致ZHMSCs的能量输出较差。本文设计了层间传输通道工程,通过在MXene层间嵌入细菌纤维素(BC),开发出与纯MXene电极相比具有快速离子传输通道的MXene/BC电极。得益于在MXene/BC电容器型阴极上的快速阴离子插入/脱嵌和在Zn箔阳极上的可逆Zn剥离/镀,制备的ZHMSCs具有宽的工作电位窗口(1.36 V),高的面电容(404 mF cm−2)和具有划时代意义的面能量密度(1 mA cm−2时94µWh cm−2)。该材料的面电容和能量密度均明显高于纯MXene电容器型阴极材料的面电容和能量密度(1 mA cm - 2时为239 mF cm - 2 /57µWh cm - 2)。此外,所开发的ZHMSCs可以进行超过10,000次循环,具有出色的容量保持能力。总的来说,我们的工作提供了一种新的策略来突破困扰基于MXene的ZHMSCs的性能瓶颈。
{"title":"Transport channel engineering between MXene interlayers for Zn-ion hybrid microsupercapacitor with enhanced energy output and cycle stability","authors":"Zhiqian Cao, Guangyao Hu, Weixing Feng, Jie Ru, Yujin Li","doi":"10.1002/cnl2.90","DOIUrl":"10.1002/cnl2.90","url":null,"abstract":"<p>Two-dimensional (2D) transition metal carbonitrides/nitrides (MXene) materials have proven to be promising alternatives as novel capacitor-type electrodes for aqueous Zn-ion hybrid microsupercapacitors (ZHMSCs). However, during self-assembly processes, serious restacking between 2D MXene nanosheets induced by strong van der Waals forces makes ion transport channels narrow within the compact MXene film electrodes, which would result in poor energy output of ZHMSCs. Herein, interlayer transport channel engineering is designed by intercalating bacterial cellulose (BC) between MXene interlayers to develop MXene/BC electrodes with fast ion transport channels in contrast to pure MXene electrodes. Benefiting from fast anion intercalation/deintercalation on MXene/BC capacitor-type cathode and reversible Zn stripping/plating on Zn foil anode, the fabricated ZHMSCs exhibit wide working potential windows (1.36 V), high areal capacitance (404 mF cm<sup>−2</sup>), and landmark areal energy density (94 µWh cm<sup>−2</sup> at 1 mA cm<sup>−2</sup>). The areal capacitance and energy density of the developed ZHMSCs are much higher than those of the ZHMSCs based on pure MXene capacitor-type cathode (239 mF cm<sup>−2</sup>/57 µWh cm<sup>−2</sup> at 1 mA cm<sup>−2</sup>). Besides, the developed ZHMSCs can perform more than 10,000 cycles, showing outstanding capacity retention. In general, our work provides a novel strategy to break through the performance bottlenecks afflicting MXene-based ZHMSCs.</p>","PeriodicalId":100214,"journal":{"name":"Carbon Neutralization","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnl2.90","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135482592","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}
Ali M. Resen, Ayad N. Jasim, Heba S. Qasim, Mahdi M. Hanoon, Mohammed H. H. Al-Kaabi, Ahmed A. Al-Amiery, Waleed K. Al-Azzawi
In this study, we synthesized a novel corrosion inhibitor derived from thiophene and conducted a comprehensive evaluation of its inhibitory properties through both experimental and theoretical approaches. Our investigation encompassed experimental assessments employing Mass loss tests and electrochemical techniques. Additionally, we performed computational studies to delve into the electronic structure and bonding characteristics of the inhibitor, aiming to elucidate its inhibitory mechanism. Our findings revealed that the synthesized inhibitor displayed remarkable inhibitory efficiency, demonstrating its effectiveness in preventing the corrosion of mild steel. Specifically, the thiophene derivative exhibited an impressive inhibitory efficiency of 92.8%, underscoring its potential as a robust corrosion inhibitor for mild steel. Furthermore, this study delved into optimizing the conditions for employing the thiophene derivative as a corrosion inhibitor. Our investigation revealed that the most effective inhibition was achieved at a concentration of 0.5 mM and a temperature of 303 K. To elucidate the interaction between the inhibitor and the mild steel surface, we applied the Langmuir adsorption isotherm concept, shedding light on both the physical and chemical adsorption processes of the thiophene derivative on the metal's surface. Our investigations demonstrated that the addition of the inhibitor significantly reduced the corrosion rate of the metal. Our computational results further reinforced these experimental findings, indicating that the inhibitor formed stable adsorption complexes on the metal surface. This dual confirmation from experimental and computational approaches strengthens the confidence in the inhibitor's efficacy in mitigating corrosion.
{"title":"A combined experimental and theoretical study of a novel corrosion inhibitor derived from thiophen","authors":"Ali M. Resen, Ayad N. Jasim, Heba S. Qasim, Mahdi M. Hanoon, Mohammed H. H. Al-Kaabi, Ahmed A. Al-Amiery, Waleed K. Al-Azzawi","doi":"10.1002/cnl2.92","DOIUrl":"10.1002/cnl2.92","url":null,"abstract":"<p>In this study, we synthesized a novel corrosion inhibitor derived from thiophene and conducted a comprehensive evaluation of its inhibitory properties through both experimental and theoretical approaches. Our investigation encompassed experimental assessments employing Mass loss tests and electrochemical techniques. Additionally, we performed computational studies to delve into the electronic structure and bonding characteristics of the inhibitor, aiming to elucidate its inhibitory mechanism. Our findings revealed that the synthesized inhibitor displayed remarkable inhibitory efficiency, demonstrating its effectiveness in preventing the corrosion of mild steel. Specifically, the thiophene derivative exhibited an impressive inhibitory efficiency of 92.8%, underscoring its potential as a robust corrosion inhibitor for mild steel. Furthermore, this study delved into optimizing the conditions for employing the thiophene derivative as a corrosion inhibitor. Our investigation revealed that the most effective inhibition was achieved at a concentration of 0.5 mM and a temperature of 303 K. To elucidate the interaction between the inhibitor and the mild steel surface, we applied the Langmuir adsorption isotherm concept, shedding light on both the physical and chemical adsorption processes of the thiophene derivative on the metal's surface. Our investigations demonstrated that the addition of the inhibitor significantly reduced the corrosion rate of the metal. Our computational results further reinforced these experimental findings, indicating that the inhibitor formed stable adsorption complexes on the metal surface. This dual confirmation from experimental and computational approaches strengthens the confidence in the inhibitor's efficacy in mitigating corrosion.</p>","PeriodicalId":100214,"journal":{"name":"Carbon Neutralization","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnl2.92","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135482849","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}
The effective storage and utilization of hydrogen energy is expected to solve the problems of energy shortage and environmental pollution currently faced by human society. Metal–organic framework materials (MOFs) have been shown by scientists to be very potential hydrogen storage materials. However, the current design methods and strategies for MOFs are still generally in the trial-and-error stage, and the research works are at the overall level. To solve the problems of directional design and rational construction of new MOFs, this work uses the principles and methods of coordination chemistry and crystal engineering to carry out the theoretical design and mechanism research of new MOFs for high-efficiency hydrogen storage application scenarios. In this study, the structures selected for theoretical calculation were divided into two types: different ligands for the same metal (IRMOFs, MOF-205, and DUT-23-Zn) and different metals for the same ligand (DUT-23-M [(M = Co, Ni, Cu, and Zn]). The model construction process, hydrogen loading with temperature, specific surface area, hydrogen adsorption energy, charge density and hydrogen storage mechanism of the above structures were analyzed, and the key indicators that may affect the hydrogen storage performance of MOFs were summarized: type and quantity of coordination metals, temperature, pressure, adsorption site and specific surface area.
摘要氢能的有效储存和利用有望解决当前人类社会面临的能源短缺和环境污染问题。金属有机骨架材料(MOFs)是一种非常有潜力的储氢材料。然而,目前mof的设计方法和策略仍普遍处于试错阶段,研究工作处于整体水平。为了解决新型MOFs的定向设计和合理构建问题,本工作运用配位化学和晶体工程的原理和方法,开展了高效储氢应用场景下新型MOFs的理论设计和机理研究。在本研究中,选择用于理论计算的结构分为两种类型:同一金属的不同配体(irmof、MOF‐205和DUT‐23‐Zn)和同一配体的不同金属(DUT‐23‐M [(M = Co, Ni, Cu, and Zn])。分析了上述结构的模型构建过程、载氢温度、比表面积、氢吸附能、电荷密度和储氢机理,总结了可能影响mof储氢性能的关键指标:配位金属的种类和数量、温度、压力、吸附位置和比表面积。
{"title":"Hydrogen storage mechanism of metal–organic framework materials based on metal centers and organic ligands","authors":"Bo Zhang, Yanli Sun, Hong Xu, Xiangming He","doi":"10.1002/cnl2.91","DOIUrl":"10.1002/cnl2.91","url":null,"abstract":"<p>The effective storage and utilization of hydrogen energy is expected to solve the problems of energy shortage and environmental pollution currently faced by human society. Metal–organic framework materials (MOFs) have been shown by scientists to be very potential hydrogen storage materials. However, the current design methods and strategies for MOFs are still generally in the trial-and-error stage, and the research works are at the overall level. To solve the problems of directional design and rational construction of new MOFs, this work uses the principles and methods of coordination chemistry and crystal engineering to carry out the theoretical design and mechanism research of new MOFs for high-efficiency hydrogen storage application scenarios. In this study, the structures selected for theoretical calculation were divided into two types: different ligands for the same metal (IRMOFs, MOF-205, and DUT-23-Zn) and different metals for the same ligand (DUT-23-M [(M = Co, Ni, Cu, and Zn]). The model construction process, hydrogen loading with temperature, specific surface area, hydrogen adsorption energy, charge density and hydrogen storage mechanism of the above structures were analyzed, and the key indicators that may affect the hydrogen storage performance of MOFs were summarized: type and quantity of coordination metals, temperature, pressure, adsorption site and specific surface area.</p>","PeriodicalId":100214,"journal":{"name":"Carbon Neutralization","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnl2.91","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135689673","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}
Back cover image: The electric mobility is considered to be a key step towards achieving the vision of carbon neutrality, and the high carbon footprint of electric vehicle (EV) power batteries is a critical factor affecting the ability of EV to reduce carbon emissions. In 10.1002/cnl2.81, the researchers organize the carbon accounting standards of the automotive industry and compare the lifecycle carbon emissions of various types of vehicles, pointing out the advantages of EV in reducing carbon emissions, as well as the concentration of carbon emissions in EV lifecycle. And the researchers elaborated how to reduce the lifecycle carbon emissions of EV from the automobile industry chain. Finally, focusing on power batteries, it concludes that fine management, echelon utilization, and efficient recycling are ways to reduce their contribution to the carbon emissions of EV.