Qin Guangzhao, Hu Ming
Institute of Mineral Engineering, Division of Materials Science and Engineering, Faculty of Georesources and Materials Engineering, RWTH Aachen University, Aachen, 52064, Germany.
Aachen Institute for Advanced Study in Computational Engineering Science (AICES), RWTH Aachen University, Aachen, 52062, Germany.
Small. 2018 Mar;14(12):e1702465. doi: 10.1002/smll.201702465. Epub 2018 Feb 2.
Phosphorene, a novel elemental 2D semiconductor, possesses fascinating chemical and physical properties which are distinctively different from other 2D materials. The rapidly growing applications of phosphorene in nano/optoelectronics and thermoelectrics call for comprehensive studies of thermal transport properties. In this Review, based on the theoretical and experimental progresses, the thermal transport properties of single-layer phosphorene, multilayer phosphorene (nanofilms), and bulk black phosphorus are summarized to give a general view of the overall thermal conductivity trend from single-layer to bulk form. The mechanism underlying the discrepancy in the reported thermal conductivity of phosphorene is discussed by reviewing the effect of different functionals and cutoff distances on the thermal transport evaluations. This Review then provides fundamental insight into the thermal transport in phosphorene by reviewing the role of resonant bonding in driving giant phonon anharmonicity and long-range interactions. In addition, the extrinsic thermal conductivity of phosphorene is reviewed by discussing the effects of strain and substrate, together with phosphorene based heterostructures and nanoribbons. This Review summarizes the progress of thermal transport in phosphorene from both theoretical calculations and experimental measurements, which would be of significance to the design and development of efficient phosphorene based nanoelectronics.
磷烯是一种新型的二维元素半导体，具有与其他二维材料截然不同的迷人化学和物理性质。磷烯在纳米/光电子学和热电学领域的应用迅速增长，这就需要对其热输运性质进行全面研究。在这篇综述中，基于理论和实验进展，总结了单层磷烯、多层磷烯（纳米薄膜）和块状黑磷的热输运性质，以全面了解从单层到块状形式的整体热导率趋势。通过回顾不同泛函和截止距离对热输运评估的影响，讨论了报道的磷烯热导率差异背后的机制。通过回顾共振键在驱动巨大声子非谐性和长程相互作用中的作用，本综述对磷烯中的热输运提供了基本见解。此外，通过讨论应变和衬底的影响，以及基于磷烯的异质结构和纳米带，对磷烯的外在热导率进行了综述。本综述总结了磷烯热输运在理论计算和实验测量方面的进展,这对高效磷烯基纳米电子学的设计和开发具有重要意义。
