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2D High‐Entropy Transition Metal Dichalcogenides for Carbon Dioxide Electrocatalysis
Author(s) -
Cavin John,
Ahmadiparidari Alireza,
Majidi Leily,
Thind Arashdeep Singh,
Misal Saurabh N.,
Prajapati Aditya,
Hemmat Zahra,
Rastegar Sina,
Beukelman Andrew,
Singh Meenesh R.,
Unocic Kinga A.,
SalehiKhojin Amin,
Mishra Rohan
Publication year - 2021
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.202100347
Subject(s) - materials science , transition metal , electrocatalyst , alloy , electrochemistry , catalysis , high entropy alloys , configuration entropy , entropy (arrow of time) , isothermal process , thermodynamics , electrode , chemistry , metallurgy , biochemistry , physics
Abstract High‐entropy alloys combine multiple principal elements at a near equal fraction to form vast compositional spaces to achieve outstanding functionalities that are absent in alloys with one or two principal elements. Here, the prediction, synthesis, and multiscale characterization of 2D high‐entropy transition metal dichalcogenide (TMDC) alloys with four/five transition metals is reported. Of these, the electrochemical performance of a five‐component alloy with the highest configurational entropy, (MoWVNbTa)S 2 , is investigated for CO 2 conversion to CO, revealing an excellent current density of 0.51 A cm −2 and a turnover frequency of 58.3 s −1 at ≈ −0.8 V versus reversible hydrogen electrode. First‐principles calculations show that the superior CO 2 electroreduction is due to a multi‐site catalysis wherein the atomic‐scale disorder optimizes the rate‐limiting step of CO desorption by facilitating isolated transition metal edge sites with weak CO binding. 2D high‐entropy TMDC alloys provide a materials platform to design superior catalysts for many electrochemical systems.