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July 5, 2021Advanced Materials185 citations

Intrinsic Electron Localization of Metastable MoS2 Boosts Electrocatalytic Nitrogen Reduction to Ammonia

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GLGaoxin LinQJQiangjian JuXGXiaowei Guo

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Abstract

, correspondingly. Theoretical simulations reveal the high local electron density surrounding the MoMo chains and sites can promote π back-donation, which is beneficial for increasing nitrogen adsorption, strengthening the MN bonds, and reducing the cleavage barrier of the triple NN bond.

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Cite This Study

Lin et al. (2021) studied this question.

synapsesocial.com/papers/6a015d542ff633f365786227https://doi.org/10.1002/adma.202007509
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