Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS2 for the Hydrogen Evolution Reaction,ACS Energy Letters

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Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS2 for the Hydrogen Evolution Reaction
ACS Energy Letters ( IF 19.3 ) Pub Date : 2017-11-17 00:00:00 , DOI: 10.1021/acsenergylett.7b00865
Nuwan H. Attanayake _{1,

2} , Akila C. Thenuwara _{1,

2} , Abhirup Patra _{2,

3} , Yaroslav V. Aulin _{1,

2} , Thi M. Tran ₁ , Himanshu Chakraborty _{1,

2,

4} , Eric Borguet _{1,

2} , Michael L. Klein _{1,

2,

4} , John P. Perdew _{2,

3} , Daniel R. Strongin _{1,

2}

Affiliation

We show that intercalation of cations (Na⁺, Ca²⁺, Ni²⁺, and Co²⁺) into the interlayer region of 1T-MoS₂ is an effective strategy to lower the overpotential for the hydrogen evolution reaction (HER). In acidic media the onset potential for 1T-MoS₂ with intercalated ions is lowered by ∼60 mV relative to that for pristine 1T-MoS₂ (onset of ∼180 mV). Density functional theory (DFT) calculations show a lowering in the Gibbs free energy for H-adsorption (ΔG_H) on these intercalated structures relative to intercalant-free 1T-MoS₂. The DFT calculations suggest that Na⁺ intercalation results in a ΔG_H close to zero. Consistent with calculation, experiments show that the intercalation of Na⁺ ions into the interlayer region of 1T-MoS₂ results in the lowest overpotential for the HER.

中文翻译：

插层金属对1T-MoS ₂对氢析出反应的电催化活性的影响

我们表明，将阳离子（Na ⁺，Ca 2 ⁺，Ni ²⁺和Co ²⁺）插入到1T-MoS ₂的夹层区域中是降低氢释放反应（HER）的超电势的有效策略。在酸性介质中，带有嵌入离子的1T-MoS ₂的起始电位相对于原始1T-MoS _2的起始电位（约180 mV）降低了约60 mV。密度泛函理论（DFT）计算表明，相对于无插层的1T-MoS ₂，这些插层结构上的H吸附的吉布斯自由能降低了（ΔG _H）。DFT计算表明，Na ⁺插层导致ΔG _H接近零。与计算一致，实验表明，将Na ⁺离子嵌入1T-MoS ₂的层间区域会导致HER的最低超电势。

更新日期：2017-11-19

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