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首页> 外文期刊>Advanced Functional Materials >Facile and Versatile Functionalization of Two-Dimensional Carbon Nitrides by Design: Magnetism/Multiferroicity,Valleytronics, and Photovoltaics
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Facile and Versatile Functionalization of Two-Dimensional Carbon Nitrides by Design: Magnetism/Multiferroicity,Valleytronics, and Photovoltaics

机译：二维碳氮化物的便捷多功能设计：磁性/多铁性，电子和光电

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摘要

Ab initio calculation evidence has shown that two-dimensional (2D) carbon nitrides may enable "facile functionalization" when a domain of carbon nitride is wetted by a solution of metal halides with mobile cations/anions. During the wetting process, each cavity can be functionalized by a unit of metal halide. Compared with prevailing functionalization or doping strategies through either high-temperature diffusion of source ions or ion implantation by using accelerators, such a room-temperature "wet-lab" functionalization approach is more facile and efficient. The wet-lab functionalization not only can facilitate isolation of the 2D monolayer, but also, with applying different metal halides, enable various new and desirable properties for broad applications, e.g., 2D magnetism and 2D ferroelectricity with high piezoelectric coefficient. The latter can be implemented in spin-independent valleytronics for non-volatile electrical manipulations. Notably, tunable bandgaps, ranging from 1.0 to 2.5 eV, can be realized by controlling the metal-halide functionalization density, while the separation of electrons/holes can be facilitated by the ferroelectric polarizations and heterostructure band alignments. Moreover, multifunctional domains like P/N doped or magnetic/ferroelectric domains can be selectively constructed through such solution-processed functionalization with different halides, followed by seamless integration into a single sheet of carbon nitride, akin to the P/N channels in silicon wafers.
机译：从头算起的证据表明，当氮化碳域被具有可移动阳离子/阴离子的金属卤化物溶液润湿时，二维（2D）碳氮化物可实现“轻松功能化”。在润湿过程中，每个空腔都可以通过一个金属卤化物单元进行功能化。与通过源离子的高温扩散或通过使用促进剂进行离子注入的主流功能化或掺杂策略相比，这种室温“湿实验室”功能化方法更加简便有效。湿实验室功能化不仅可以促进2D单层的隔离，而且还可以通过应用不同的金属卤化物实现各种新的理想特性，以实现广泛的应用，例如具有高压电系数的2D磁性和2D铁电。后者可以在不依赖自旋的波谷电子学中实现，用于非易失性电气操作。值得注意的是，可通过控制金属卤化物的官能化密度来实现1.0至2.5 eV的可调带隙，而铁电极化和异质结构能带排列可促进电子/空穴的分离。此外，可以通过使用不同卤化物进行溶液处理的官能化，选择性地构建诸如P / N掺杂或磁/铁电畴之类的多功能域，然后无缝集成到单片氮化碳中，类似于硅晶片中的P / N通道。

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