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arXiv 1909.01490cond-mat.mtrl-scicond-mat.mes-hall
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MXene片晶叠层的合成和电子结构

Synthesis and Electronic Structure of a Crystalline Stack of MXene Sheets

Daniel L. Druffel, Matthew G. Lanetti, Jack D. Sundberg, Jacob T. Pawlik, Madeline S. Stark, Carrie L. Donley, Lauren M. McRae, Katie M. Scott, Scott C. Warren

摘要:

尽管在过去十年中对MXene感兴趣,但所有报道的MXene都具有表面末端(-O、-OH、-F)的随机混合物。此外,重新堆叠的膜具有乱层无序,并且通常在它们的层之间含有离子、溶剂和其他物质。在这里,我们报告Y2 CF2,一个层状晶体的晶胞同构的MXene,其中层只被氟阴离子。我们通过高温固相反应直接合成3D晶体,这提供了高产率和纯度的3D晶体,并确保只有氟离子终止层。我们使用实验和计算技术相结合的晶体结构和电子性质的特点。我们发现,相对较强的静电相互作用将层结合在一起形成3D晶体,并且层之间缺乏轨道重叠导致Y2 CF2被描述为彼此电绝缘的MXene状片的板。因此,我们认为Y2 CF2是MXene样片的纯3D晶体堆叠。此外,Y2 CF2是第一个实验合成的过渡金属碳化物氟化物。我们希望这项工作能激发对过渡金属碳化物氟化物的进一步探索,这是一个潜在的大而有用的组合物类别。

英文摘要:

Despite the interest in MXenes in the last decade, all of the MXenes reported have a random mixture of surface terminations (-O, -OH, -F). In addition, restacked films have turbostratic disorder and often contain ions, solvent, and other species in between their layers. Here we report Y2CF2, a layered crystal with a unit cell isostructural to a MXene, in which layers are capped only by fluoride anions. We directly synthesize the 3D crystal through a high-temperature solid-state reaction, which affords the 3D crystal in high yield and purity and ensures that only fluoride ions terminate the layers. We characterize the crystal structure and electronic properties using a combination of experimental and computational techniques. We find that relatively strong electrostatic interactions bind the layers together into a 3D crystal and that the lack of orbital overlap between layers gives rise to a description of Y2CF2 as slabs of MXene-like sheets electrically insulated from one another. Therefore, we consider Y2CF2 as a pure 3D crystalline stack of MXene-like sheets. In addition, Y2CF2 is the first transition metal carbide fluoride experimentally synthesized. We hope this work inspires further exploration of transition metal carbide fluorides, which are potentially a large and useful class of compositions.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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