DFT

Role of Iron in Ni-Fe Alloy Nanoparticles for Electrocatalytic Ethanol to Acetic Acid Conversion

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Role of Iron in Ni-Fe Alloy Nanoparticles for Electrocatalytic Ethanol to Acetic Acid Conversion

Electrooxidizing ethanol to value-added acetic acid is a typical case of replacing the oxygen evolution reaction to promote the cathodic hydrogen evolution reaction and save energy.This paper proposes a colloidal strategy for preparing nickel-iron bimetallic alloy nanoparticles (NPs) as efficient electrocatalysts for ethanol electrooxidation in alkaline media. In a 1.0 M potassium hydroxide (KOH) solution … Read more

Weak σ–π–σ Interaction Stabilizes Oxygen Redox in Li-Rich Cathodes

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Weak σ–π–σ Interaction Stabilizes Oxygen Redox in Li-Rich Cathodes

[Research Background] The key to controlling the oxygen oxidation-reduction chemistry is to adjust the chemical environment of the lattice oxygen with redox activity, namely the Li2MnO3-like domains.Recent studies have shown that aggregated large-sizeLi2MnO3-like domains can lead to irreversible TM migration and oxygen oxidation-reduction, resulting in notorious capacity fading and voltage decay. According to Pauling’s rules, … Read more