纳米孔道动电效应能量转换系统的前沿研究进展

可再生清洁能源的开发和利用对人类社会的可持续发展具有重要意义。 基于动电效应的纳米孔道能量转换系统将流体机械能转化为电能,有望应用于微型电源部件、自驱动纳米机器、微机电体系等领域,为清洁能源发电系统的开发提供了全新的选择。 纳米孔道中的机械能-电能转换过程涉及固体孔道与流体界面间的相互作用,合理设计孔道界面的微观结构,对其进行化学修饰及探讨界面间的相互作用,是提高能量转换效率和输出功率的关键。 近年来,随着纳米技术的迅猛发展及人们对界面物理化学的深入研究,纳米孔道结构和纳流体发电体系能被更精准地设计和集成。 本文主要介绍了基于动电效应的纳米孔道能量转换系统的基本概念,重点关注了纳米孔道中动电效应的最新研究进展,并对该领域进行了展望,为纳米孔道动电效应能量转换系统、纳米发电机、自驱动纳米机器、可穿戴器件等领域的进一步发展和应用提供参考。     

平行四面体纳米孔道中DNA超结构的组装和离子输运特性

<正>受生物膜离子通道结构和功能的启发,人工制备固体纳米孔道门控开关器件一直备受关注[1,2].基于仿生纳米孔道的非对称离子传输性质制备的离子二极管和场效应管装置对于构建离子电路和能量转换的纳米器件至关重要[3,4].然而,仿生制备的固体纳米孔道在离子传输过程中有漏电流的存在,严重影响了固体纳米孔道应用的灵敏度和信噪比[5].针对这一问题,研究者利用DNA分子的特殊识别和自组装的功能特性,相继构筑了基于DNA和纳米孔道的智能响应体系[6,7].但在之前的研究工作中,分[8]     

仿生离子通道研究进展:从一维到二维

在生物电体系中,细胞膜中层级排列的离子通道和离子泵构成集成化的纳米尺度的离子导体,它们成为生命体系能量转换的关键结构基础.从生物离子通道上获得相关启示,通过构筑一维、二维纳米孔道来模拟生物离子通道的结构和功能,实现了可控的离子传输和能量转换.本文总结了仿生离子通道从一维直通构型到二维层状构型的发展,各自的特点、材料的制备方法,以及在仿生能量转换方面的应用.二维仿生离子通道提供了一种大规模、低成本、更为高效的纳米孔道材料制造技术,向纳米孔道材料的实用化迈出了重要一步.本文还重点介绍了二维层状材料及其构筑的二维离子通道在超滤、能量转换与存储等方面的应用.     

仿生智能纳米通道在能量转换中的应用

智能纳米通道由于独特的纳米结构,导致对离子的通过具有选择性、整流性和门控性,从而在能量转换领域具有重要的应用前景。本文根据能量转换原理的不同,将纳米通道在能量转换中的应用分为:模仿电鳗鱼将化学能转换为电能,模仿绿叶将光能转换为化学能,模仿菌紫质将光能转换为电能,模仿水力发电机将流体机械能转换为电能。其中,模仿电鳗鱼系统由于广泛的能量来源、高的能量转换效率以及输出的能量形式为电能,应用前景最为广阔。能量转换的性能受纳米通道自身的几何结构以及内表面电荷密度的影响。除此之外,还受外界条件的影响,比如电解质溶液类型和浓度,浓差和气压差的大小以及pH值等。     

仿生纳米通道的制备、修饰及生物分析应用

纳流控作为一种新兴技术,近年来得到了广泛关注.其产生和发展伴随着新流体现象的发现和新型器件的诞生.纳米流体中独特的物质传输性质和潜在的应用引起了广泛关注.迄今为止,纳米通道器件在DNA测序、单分子传感、能源储存与转换、离子门控等方面显示出了巨大的应用前景.本文总结了仿生纳米通道的设计与制备、纳米通道功能化修饰的策略及其在生物分析中的应用研究,并思考了仿生纳米通道的发展与面临的挑战.     

pH-温度协同响应的纳米门控器件

自然界中的生物孔道在生命过程中具有重要的意义, 在人工制备的仿生纳米器件上模仿生物孔道的离子输运性质是一项具有挑战性的课题. 我们制备了一种基于人工聚合物薄膜的纳米门控器件,这种纳米门控器件的离子输运性质可以通过调节体系的pH和温度来调控. 通过在人工聚合物薄膜上修饰功能分子聚赖氨酸(poly-L-Lysine)得到的门控器件能够模拟生物体中生物孔道的典型离子输运行为, 其离子输运性能受体系pH的控制, 可以通过调节体系的pH而限制纳米门控器件的导通方向. 同时, 在一定pH条件下调整体系温度也能够对离子输运性能产生影响, 而在其他pH条件下, 温度则不会对体系的离子输运性能产生明显的影响, 即这种基于人工聚合物薄膜的纳米门控器件具有对pH和温度的协同响应性能.     

基于二维材料的仿生纳流体通道在能量转化中的应用

生物启发的仿生人工纳流体通道以其可控的几何结构和可调的化学性质而迅速发展成为一个热门研究领域, 其中, 基于二维(2D)纳米材料的二维纳流体通道具有易于制造、 高效的化学改性和致密堆积的片层通道结构以及流体阻力小等优势而受到广泛关注, 预期在渗透能转换方面具有巨大的潜力. 本文简要介绍了二维纳流体通道的特征及优势; 基于二维仿生能量转换体系最新进展以及对二维纳流体通道能量转化发展前景进行了展望.     

Au纳米颗粒作用下的仿生纳米通道

在自然界的生物体系中,各种各样的离子通道对物质交换、能量输运等生理过程起着重要作用.用人工制备的仿生纳米器件模仿生物孔道的离子输运性质是一项非常具有挑战性的课题.通过在对称柱形聚对苯二甲酸乙二醇酯（PET）聚合物孔道中引入非对称结构,获得了一种具有高整流比的人工纳米孔道体系.通过带正电荷的2-十一烷基-1-二硫脲乙基咪唑啉季铵盐（SUDEI）在柱形纳米孔道的单面吸附,使体系具有了非对称的电荷分布和几何结构,从而具有非线性的离子输运性质,表现出较好的门控性能.Au纳米颗粒可以与SUDEI以Au-S键稳定结合,有效地减小柱孔一端的孔径,进一步提高体系的门控比,且该纳米通道体系非对称响应离子输运有很好的稳定性.     

仿生光响应智能纳米孔道的构筑及应用

在生命体中,很多生物过程都和光息息相关,例如光合作用过程和视觉感受系统等,而这些过程大都由生命体中对光敏感的蛋白质离子通道主导。近年来,受这些蛋白质离子通道的启发,具有光响应性的仿生智能固态纳米孔道广受关注。光响应纳米孔道具有灵活的空间和时间可控性,除了和生命过程息息相关,还在能源存储与转化、药物可控释放和分离等方面显示了巨大的应用前景。本综述主要从材料属性出发阐述光响应仿生智能纳米孔道的构筑和分类,并对其应用进行总结和展望。     

膜的电子传递

生命体系的基本特点是它具有捕获、转换和贮存各种形式能量的功能,其中大部分的能量转换是发生在生物膜上。例如,质膜、类囊体膜、线粒体内膜、视网膜和神经膜就分别可将电化学能转为内能,光能转为化学能,内能转为化学能,光能转为电能以及化学能转为电能。在     

Theoretical study on the potential energy surface and vibrational energy levels of HXeI

The potential energy surface for the electronic ground state of the HXeI molecule is constructed by using the internally contracted multi-reference configuration interaction with the Davidson correction（icMRCI＋Q）method and large basis sets. The stabilities and dissociation barriers are identified from the potential energy surfaces.The three-body dissociation channel is found to be the dominate dissociation channel for HXeI.Based on the obtained potentials,vibrational energy levels of HXeI are calculated using the Lanczos algorithm.Our theoretical results are in excellent agreement with the available observed values.     

Solar energy and solid state chemistry

The transition from reliance on fossil fuels to long-term energy sources is a most urgent technical challenge to modern civilization. This paper outlines some materials problems associated with the transition to solar energy as a distributed source of (a) low-temperature heat for hot water, domestic heating, and refrigeration/air-conditioning, (b) electric power, and (c) fuel. Academy lecture delivered at the Indian Institute of Science, Bangalore, on 6 December 1978.     

An ab initio potential energy surface and vibrational energy levels of HXeBr

A three-dimensional global potential energy surface for the electronic ground state of HXeBr molecule is constructed from more than 4200 ab initio points. These points are generated using an internally contracted multi-reference configuration interaction method with the Davidson correction （icMRCI ＋ Q） and large basis sets. The stabilities and dissociation barriers are identified from the potential energy surfaces. The three-body dissociation channel is found to be the dominate dissociation channel for HXeBr. Based on the obtained potentials, low-lying vibrational energy levels of HXeBr calculated using the Lanczos algorithm is found to be in good agreement with the available experimental band origins.     

Isoelectronic changes in total Hartree-Fock energy of atoms

It is shown numerically that to a reasonably good accuracy, the isolectronic changes in total Hartree-Fock energy of atomic systems can be predicted, in terms of the energy ratio between the adjacent members in a given isoelectronic series, simply as a function of atomic numbers.Alexander von Humboldt Fellow, on leave from School of Chemistry, University of Hyderabad, India.     

Miniaturized Salinity Gradient Energy Harvesting Devices

Harvesting salinity gradient energy, also known as “osmotic energy” or “blue energy”, generated from the free energy mixing of seawater and fresh river water provides a renewable and sustainable alternative for circumventing the recent upsurge in global energy consumption. The osmotic pressure resulting from mixing water streams with different salinities can be converted into electrical energy driven by a potential difference or ionic gradients. Reversed-electrodialysis (RED) has become more prominent among the conventional membrane-based separation methodologies due to its higher energy efficiency and lesser susceptibility to membrane fouling than pressure-retarded osmosis (PRO). However, the ion-exchange membranes used for RED systems often encounter limitations while adapting to a real-world system due to their limited pore sizes and internal resistance. The worldwide demand for clean energy production has reinvigorated the interest in salinity gradient energy conversion. In addition to the large energy conversion devices, the miniaturized devices used for powering a portable or wearable micro-device have attracted much attention. This review provides insights into developing miniaturized salinity gradient energy harvesting devices and recent advances in the membranes designed for optimized osmotic power extraction. Furthermore, we present various applications utilizing the salinity gradient energy conversion.     

Partitioning of atomization energy

The present work provides a technique for partitioning the atomization energy of a molecule into diatomic contributions. The method is largely based on the redistribution of the kinetic energy term in Mayer's energy partitioning and uses free‐atom energies as a reference. The comparison of Mayer's original method, the alternative Ichikawa–Yoshida approach, and the new atomization energy partitioning (AEP) shows that the new approach has advantages in describing trends in diatomic energies in molecules with triple bonds, as well as for hydrogen bonds. The proposed AEP is a viable alternative to Mayer's energy partitioning method. © 2007 Wiley Periodicals, Inc. Int. J. Quantum Chem, 2008     

Theoretical Studies on the Potential Energy Surface and Vibrational Energy Levels of HXeBr

The potential energy surface for the electronic ground state of the HXeBr molecule is constructed from more than 4200 ab initio points calculated using the internally contracted multi-reference configuration interaction method with the Davidson correction （icMRCI ＋ Q）. The stabilities and dissociation barriers are identified from the potential energy surface. The three-body dissociation channel is found to be the dominant dissociation channel for HXeBr. Low-lying vibrational energy levels of HXeBr calculated using the Lanczos algorithm are found to be in good agreement with the available experimental band origins.     

自由能微扰法研究系列烷基芳基磺酸盐的胶束化焓-熵补偿现象

为了研究不同结构的表面活性剂分子在水溶液中的胶束化焓-熵补偿现象, 采用自由能微扰(FEP)法计算了系列烷基芳基磺酸盐的溶剂化自由能, 并根据胶团化过程的质量作用模型讨论了相关热力学性质. 结果表明: 自由能微扰法得到的溶剂化自由能大小与用传统热力学表面张力法测定的吉布斯自由能相近, 能够用于比较不同结构的烷基芳基磺酸盐间胶束化能力; 烷基芳基磺酸盐在水溶液中的胶束化过程是自发进行的, 且存在焓-熵补偿现象, 补偿温度范围均在(302±2) K; 随着分子结构中芳环向长烷基链中间位置移动, 胶束化能力和胶束的稳定性均下降; 而随着芳环上短烷基链或长烷基链碳数的增加, 形成胶束的能力与稳定性均提高.     

Ermod: Fast and versatile computation software for solvation free energy with approximate theory of solutions

ERmod is a software package to efficiently and approximately compute the solvation free energy using the method of energy representation. Molecular simulation is to be conducted at two condensed‐phase systems of the solution of interest and the reference solvent with test‐particle insertion of the solute. The subprogram ermod in ERmod then provides a set of energy distribution functions from the simulation trajectories, and another subprogram slvfe determines the solvation free energy from the distribution functions through an approximate functional. This article describes the design and implementation of ERmod, and illustrates its performance in solvent water for two organic solutes and two protein solutes. Actually, the free‐energy computation with ERmod is not restricted to the solvation in homogeneous medium such as fluid and polymer and can treat the binding into weakly ordered system with nano‐inhomogeneity such as micelle and lipid membrane. ERmod is available on web at http://sourceforge.net/projects/ermod . © 2014 Wiley Periodicals, Inc.     

Nanocellulose as a green and sustainable emerging material in energy applications: a review

In this review, a recent prospect on application of nanocellulose in energy application has been highlighted. To achieve high capacities that are essential for effective extraction of interesting ions and for faster charging and discharging in the energy storage devices, nanocellulose in the conducting matrix must obviously assist the dual purpose of mechanically improving and reinforcing the specific charge capacity. The abundant number of nanocellulose hydroxyl groups on the surface favors the formation of hydrogen bonding in an ordered structure and lead to it having high strength and stiffness properties at low density. This brought up the idea of utilizing nanocellulose as a reinforcement and energy adsorption agent originating from the possibility of exploiting the high strength and stiffness of cellulose crystals in composite applications. Copyright © 2017 John Wiley & Sons, Ltd.