论文标题
二维铬基材料的对称性诱导的纳米电子和清洁能量转换的多功能性
Symmetry-breaking-induced multifunctionalities of two-dimensional chromium-based materials for nanoelectronics and clean energy conversion
论文作者
论文摘要
可能导致外来物理特性的结构对称性破坏在确定系统功能方面起着至关重要的作用，尤其是对于二维（2D）材料。在这里，我们证明了2D铬基材料的多种功能可以通过在原始哭泣（y = p，as，s，sb）的一个面孔中替换y原子来打破反转对称性来实现，即具有N原子，即形成Janus cr2ny单层。功能包括无自旋差异，非常低的工作功能，诱导载体掺杂和催化活性，这些活动主要归因于Janus CR2NY单层的大型固有偶极子，使它们在各种应用中具有巨大的潜力。具体而言，发现CR2NSB是一种无自旋的半导体，CR2NP和CR2NHPF可以同时诱导两个具有不同浓度的石墨烯（Intinsic P-N垂直连接）的N型和P型载体掺杂，并且CR2NY表现出优异的电型水力进化活性，甚至表现出优异的bect bench pt pt pt。结果证实，破坏对称性是多功能2D材料合理设计的有前途的方法。
Structural symmetry-breaking that could lead to exotic physical properties plays a crucial role in determining the functions of a system, especially for two-dimensional (2D) materials. Here we demonstrate that multiple functionalities of 2D chromium-based materials could be achieved by breaking inversion symmetry via replacing Y atoms in one face of pristine CrY (Y=P, As, Sb) monolayers with N atoms, i.e., forming Janus Cr2NY monolayers. The functionalities include spin-gapless, very low work function, inducing carrier doping and catalytic activity, which are predominately ascribed to the large intrinsic dipole of Janus Cr2NY monolayers, making them having great potentials in various applications. Specifically, Cr2NSb is found to be a spin-gapless semiconductor, Cr2NP and Cr2NHPF could simultaneously induce n- and p-type carrier doping for two graphene sheets with different concentrations (forming intrinsic p-n vertical junction), and Cr2NY exhibits excellent electrocatalytic hydrogen evolution activity, even superior to benchmark Pt. The results confirm that breaking symmetry is a promising approach for the rational design of multifunctional 2D materials.
