{"title":"The importance of properly correcting the electric double layer effect in unravelling the intrinsic kinetics of electrode reactions","authors":"Bing-Yu Liu, Er-fei Zhen, Wei Chen, Lu-Lu Zhang, Jun Cai, Yanxin Chen","doi":"10.1016/j.nanoms.2024.03.008","DOIUrl":"https://doi.org/10.1016/j.nanoms.2024.03.008","url":null,"abstract":"","PeriodicalId":501090,"journal":{"name":"Nano Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140772930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-04-01DOI: 10.1016/j.nanoms.2024.04.001
S. Roopan, T. Chellapandi, Roshan Mohammed Shebeer, E. Akhil, Jerry D. Alappat, Nived Rajeshkumar Nair, Manasa Madhusoodanan, D. Chitra
{"title":"Advances and prospects in the development of GdVO4-based photocatalysts for water pollutants removal activity: A review","authors":"S. Roopan, T. Chellapandi, Roshan Mohammed Shebeer, E. Akhil, Jerry D. Alappat, Nived Rajeshkumar Nair, Manasa Madhusoodanan, D. Chitra","doi":"10.1016/j.nanoms.2024.04.001","DOIUrl":"https://doi.org/10.1016/j.nanoms.2024.04.001","url":null,"abstract":"","PeriodicalId":501090,"journal":{"name":"Nano Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140768198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-03-18DOI: 10.1016/j.nanoms.2024.02.008
Adewale Hammed Pasanaje, Nirpendra Singh
The discovery of novel materials with compelling properties is more accessible with the help of advanced computational algorithms. Recent experimental synthesis of the biphenylene network (C) motivated us to discover new BN-doped biphenylene networks (CBN, CBN, and BN) and their applications in Li(K)-ion batteries using an evolutionary algorithm and the first-principles calculations. The thermodynamic, thermal, and mechanical stability calculations and decomposition energy suggest the experimental synthesis of predicted biphenylene networks. Adding BN in the biphenylene networks shows a transition from metal to semimetal to semiconductor. The BN biphenylene network shows an HSE06 band gap of 3.06 eV, smaller than -BN. The CBN and CBN biphenylene networks offer Li(K) adsorption energy of −0.56 eV (−0.81 eV) and −0.14 eV (−0.28 eV), respectively, with a low diffusion barrier of 178 meV (58 meV) and 251 meV (79 meV), and a large diffusion constant of 8.50 × 10 (8.78 × 10) and 5.33 × 10 (4.12 × 10), respectively. The calculated Li(K) theoretical capacity of CBN and CBN biphenylene networks is 940.21 mA h g (899.01 mA h g) and 768.08 mA h g (808.47 mA h g), with a low open circuit voltage of 0.34 V (0.23 V), and 0.17 V (0.13 V), resulting in very high energy density of 2576.18 mW h g (2445.31 mW h g) and 2181.35 mW h g (2263.72 mW h g), respectively. Only a slight volume change of 1.6% confirms the robustness of BN-doped carbon-based biphenylene networks. Our findings present novel 2D BN-doped biphenylene networks and a pathway toward their applications in metal-ion batteries.
在先进计算算法的帮助下，更容易发现具有引人注目特性的新型材料。最近联苯网络（C）的实验合成促使我们利用进化算法和第一原理计算发现了新的掺杂 BN 的联苯网络（CBN、CBN 和 BN）及其在锂离子电池中的应用。热力学、热和机械稳定性计算以及分解能表明，可以通过实验合成所预测的联苯网络。在联苯网络中加入 BN 后，会出现从金属到半金属再到半导体的转变。BN 联苯网络的 HSE06 带隙为 3.06 eV，小于 -BN。CBN 和 CBN 联苯网络对 Li(K) 的吸附能分别为 -0.56 eV (-0.81 eV) 和 -0.14 eV (-0.28 eV)，扩散势垒分别为 178 meV (58 meV) 和 251 meV (79 meV)，扩散常数分别为 8.50 × 10 (8.78 × 10) 和 5.33 × 10 (4.12 × 10)。计算得出的 CBN 和 CBN 联苯网络的 Li(K) 理论容量分别为 940.21 mA h g（899.01 mA h g）和 768.08 mA h g（808.47 mA h g），低开路电压为 0.34 V (0.23 V) 和 0.17 V (0.13 V)，能量密度分别高达 2576.18 mW h g (2445.31 mW h g) 和 2181.35 mW h g (2263.72 mW h g)。仅 1.6% 的微小体积变化证实了掺杂 BN 的碳基联苯网络的稳健性。我们的研究结果展示了新型二维 BN 掺杂联苯网络及其在金属离子电池中的应用途径。
{"title":"Evolutionary prediction of novel biphenylene networks as an anode material for lithium and potassium-ion batteries","authors":"Adewale Hammed Pasanaje, Nirpendra Singh","doi":"10.1016/j.nanoms.2024.02.008","DOIUrl":"https://doi.org/10.1016/j.nanoms.2024.02.008","url":null,"abstract":"The discovery of novel materials with compelling properties is more accessible with the help of advanced computational algorithms. Recent experimental synthesis of the biphenylene network (C) motivated us to discover new BN-doped biphenylene networks (CBN, CBN, and BN) and their applications in Li(K)-ion batteries using an evolutionary algorithm and the first-principles calculations. The thermodynamic, thermal, and mechanical stability calculations and decomposition energy suggest the experimental synthesis of predicted biphenylene networks. Adding BN in the biphenylene networks shows a transition from metal to semimetal to semiconductor. The BN biphenylene network shows an HSE06 band gap of 3.06 eV, smaller than -BN. The CBN and CBN biphenylene networks offer Li(K) adsorption energy of −0.56 eV (−0.81 eV) and −0.14 eV (−0.28 eV), respectively, with a low diffusion barrier of 178 meV (58 meV) and 251 meV (79 meV), and a large diffusion constant of 8.50 × 10 (8.78 × 10) and 5.33 × 10 (4.12 × 10), respectively. The calculated Li(K) theoretical capacity of CBN and CBN biphenylene networks is 940.21 mA h g (899.01 mA h g) and 768.08 mA h g (808.47 mA h g), with a low open circuit voltage of 0.34 V (0.23 V), and 0.17 V (0.13 V), resulting in very high energy density of 2576.18 mW h g (2445.31 mW h g) and 2181.35 mW h g (2263.72 mW h g), respectively. Only a slight volume change of 1.6% confirms the robustness of BN-doped carbon-based biphenylene networks. Our findings present novel 2D BN-doped biphenylene networks and a pathway toward their applications in metal-ion batteries.","PeriodicalId":501090,"journal":{"name":"Nano Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140155123","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-03-16DOI: 10.1016/j.nanoms.2024.01.009
Nan Wang, Ruiyong Zhang, Kunpeng Liu, Yuxin Zhang, Xin Shi, Wolfgang Sand, Baorong Hou
With the continuous development of the marine economy and the upgrading of marine infrastructure, the increasing marine engineering equipment is facing a serious problem of marine fouling. However, developing marine antifouling materials and antifouling technologies is extremely difficult due to the complexity of the marine environment and the biodiversity of the fouling. Therefore, it is the key breakthrough to develop advanced materials for solving marine fouling problems. Nanomaterials with small dimensions and controlled micro-structure have outstanding antifouling efficiency and great promise for various antifouling fields. Herein, the development of antifouling nanomaterials and technologies in recent years are reviewed for aspects of types of antifouling nanomaterials, technologies of antifouling, and potential application of antifouling. The antifouling nanomaterials are categorized as non-metal-based nanomaterials, metal-based nanomaterials, polymeric nanomaterials, composite nanomaterials, and others. Additionally, the potential applications of antifouling nanomaterials, including marine antifouling, water treatment, and medical antifouling are discussed. Finally, we proposed the perspectives of research and development trends of the antifouling nanomaterials. This overview may promote the development of new efficient antifouling nanomaterials and develop their potential commercial applications.
{"title":"Application of nanomaterials in antifouling: A review","authors":"Nan Wang, Ruiyong Zhang, Kunpeng Liu, Yuxin Zhang, Xin Shi, Wolfgang Sand, Baorong Hou","doi":"10.1016/j.nanoms.2024.01.009","DOIUrl":"https://doi.org/10.1016/j.nanoms.2024.01.009","url":null,"abstract":"With the continuous development of the marine economy and the upgrading of marine infrastructure, the increasing marine engineering equipment is facing a serious problem of marine fouling. However, developing marine antifouling materials and antifouling technologies is extremely difficult due to the complexity of the marine environment and the biodiversity of the fouling. Therefore, it is the key breakthrough to develop advanced materials for solving marine fouling problems. Nanomaterials with small dimensions and controlled micro-structure have outstanding antifouling efficiency and great promise for various antifouling fields. Herein, the development of antifouling nanomaterials and technologies in recent years are reviewed for aspects of types of antifouling nanomaterials, technologies of antifouling, and potential application of antifouling. The antifouling nanomaterials are categorized as non-metal-based nanomaterials, metal-based nanomaterials, polymeric nanomaterials, composite nanomaterials, and others. Additionally, the potential applications of antifouling nanomaterials, including marine antifouling, water treatment, and medical antifouling are discussed. Finally, we proposed the perspectives of research and development trends of the antifouling nanomaterials. This overview may promote the development of new efficient antifouling nanomaterials and develop their potential commercial applications.","PeriodicalId":501090,"journal":{"name":"Nano Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140155315","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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