二维纳米纤维素的正交异性压电性
Orthotropic Piezoelectricity in 2D Nanocellulose
摘要：
键合区域内的机电响应的控制是必不可少的，以面对纳米技术，如分子电子学和生物技术的前沿挑战。在这里，我们提出了I \b{eta} -纳米纤维素作为一个潜在的新的正交各向异性的二维压电晶体。预测的层内压电性起源于sui-generis氢键模式。基于这一事实，并通过使用从头算和特设模型的组合，我们介绍了沿化学键的电剖面的描述。这样的发展导致获得的扩展压电效应起源于键尺度建模的理由。估计的2D I \b{eta} -纳米纤维素压电响应的数量级为~pm V-1，将该材料排列在当前使用的压电能量发生器和新的人工2D设计的水平。这一发现对于开发替代材料以推动新兴纳米技术至关重要。
英文摘要：
The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present I\b{eta}-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D I\b{eta}-nanocellulose piezoelectric response, ~pm V-1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies.
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