Synthesis and Electronic Structure of a 3D Crystalline Stack of MXene-Like Sheets,Chemistry of Materials

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Synthesis and Electronic Structure of a 3D Crystalline Stack of MXene-Like Sheets
Chemistry of Materials ( IF 7.2 ) Pub Date : 2019-11-21 , DOI: 10.1021/acs.chemmater.9b03722
Daniel L. Druffel ₁ , Matthew G. Lanetti ₁ , Jack D. Sundberg ₁ , Jacob T. Pawlik ₁ , Madeline S. Stark ₁ , Carrie L. Donley ₂ , Lauren M. McRae ₁ , Katie M. Scott ₁ , Scott C. Warren _{1,

3}

Affiliation

Despite the interest in MXenes in the past decade, MXenes are often highly disordered, which can complicate their study and use. For example, nearly all MXenes have a random mixture of surface terminations (−O, −OH, −F). In addition, restacked 3D 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 further find 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.

中文翻译：

MXene样片的3D晶体堆栈的合成和电子结构

尽管在过去十年中对MXene产生了兴趣，但MXene经常高度混乱，这可能会使它们的研究和使用变得复杂。例如，几乎所有的MXene都具有表面末端（-O，-OH，-F）的随机混合物。此外，重新堆叠的3D影片具有涡层紊乱，并且在其两层之间通常包含离子，溶剂和其他物质。在这里，我们报告Y ₂ CF ₂一种层状晶体，其晶胞与MXene具有同构结构，其中各层仅被氟阴离子覆盖。我们通过高温固态反应直接合成3D晶体，从而以高收率和纯度提供3D晶体，并确保只有氟离子终止这些层。我们结合实验和计算技术来表征晶体结构和电子性能。我们发现相对强的静电相互作用将这些层结合在一起成为3D晶体，并且进一步发现，层之间缺少轨道重叠会引起对Y ₂ CF ₂的描述，因为它们是彼此电绝缘的MXene状板的平板。因此，我们考虑Y ₂ CF ₂作为类似MXene的薄片的纯3D晶体堆栈。另外，Y ₂ CF ₂是实验上合成的第一种过渡金属氟化碳。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，它们可能是一大类有用的组合物。

更新日期：2019-11-22

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