Department of Chemistry, Korea University, Sejong 339-700, Republic of Korea.
Department of Nanoscience and Nanotechnology, Jeonbuk National University, Chonju, Chonbuk 560-756, Republic of Korea.
Nanoscale. 2019 Mar 7;11(9):3780-3785. doi: 10.1039/c8nr10165e. Epub 2019 Feb 13.
Two-dimensional MoS meets porphyrin molecules to form unique 1T' phase intercalated complexes via a one-step procedure of hydrothermal reactions. The resultant Mn-porphyrin-MoS exhibits excellent electrocatalytic activity toward the hydrogen evolution reaction, with a Tafel slope of 35 mV dec and 10 mA cm at an overpotential of 0.125 V. Spin-polarized density functional theory calculations confirmed that the intercalation of Mn-porphyrin into 1T'-MoS is quite favourable due to strong charge transfer from Mn metals. Their outstanding catalytic performance could be ascribed to the high electron concentration as well as the low activation barrier of the Heyrovsky reaction.
二维 MoS 通过水热反应的一步法与卟啉分子结合，形成独特的 1T'相插层复合物。所得的 Mn-卟啉-MoS 对析氢反应表现出优异的电催化活性，在过电势为 0.125 V 时具有 35 mV dec 和 10 mA cm 的 Tafel 斜率。基于自旋极化密度泛函理论的计算证实，由于 Mn 金属的强电荷转移，Mn-卟啉嵌入 1T'-MoS 是非常有利的。它们优异的催化性能可以归因于高电子浓度以及 Heyrovsky 反应的低活化能垒。
