Nanotubular Geometry for Stabilizing Metastable 1T-Phase Ru Dichalcogenides,Advanced Energy Materials

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Nanotubular Geometry for Stabilizing Metastable 1T-Phase Ru Dichalcogenides
Advanced Energy Materials ( IF 24.4 ) Pub Date : 2022-11-27 , DOI: 10.1002/aenm.202203133
Myeong‐Geun Kim ₁ , Seung‐Hoon Kim ₁ , Jue‐Hyuk Jang ₁ , Dong Wook Lee ₁ , Daeil Choi ₁ , Jae‐Hyun Park _{1,

2} , Kug‐Seung Lee ₃ , Nanjun Chen ₄ , Chuan Hu ₄ , Young Moo Lee ₄ , Sung Jong Yoo _{1,

2,

5}

Affiliation

Owing to their remarkable electrochemical activities, 1T phase transition metal dichalcogenide (TMD) materials have attracted considerable interest in recent decades. However, metastable 1T phases are difficult to prepare and readily change phases. Therefore, for the first time, a monolayer nanotubular 1T Ru dichalcogenide comprising 92% of the 1T phase is synthesized, which is the highest value ever obtained using solvothermal methods. In the tubular geometry, the 1T phase exhibits superior durability against various external stimuli and electrocatalytic activity toward the oxygen reduction reaction. According to density-functional-theory-based and molecular dynamics calculations, sufficiently curved architectures can change their bond identities to safely maintain 1T phases, hence providing a strategy for stabilizing metastable phases. The study results form a basis for extensively applying 1T phases and will stimulate interest for applying tubular structures for stabilizing metastable materials.

中文翻译：

用于稳定亚稳态 1T 相 Ru 二硫化物的纳米管几何形状

由于其卓越的电化学活性，1T 相变金属二硫化物 (TMD) 材料在近几十年来引起了人们的极大兴趣。然而，亚稳态 1T 阶段难以制备并且容易改变阶段。因此，首次合成了包含92% 1T相的单层纳米管状1T Ru二硫化物，这是使用溶剂热法获得的最高值。在管状几何结构中，1T 相对各种外部刺激和氧还原反应的电催化活性表现出优异的耐久性。根据基于密度泛函理论和分子动力学计算，充分弯曲的结构可以改变它们的键身份以安全地维持 1T 相，从而提供稳定亚稳相的策略。

更新日期：2022-11-27

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