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Ni–P codoping engineered MoS<sub>2</sub> basal planes for electrocatalytic water splitting: insights from density functional theory

Le Thanh Phuong, Sampath Prabhakaran, Do Hwan Kim

2024Journal of Materials Chemistry A9 citationsDOI

Abstract

DFT-guided discovery of bifunctional electrocatalysts holds great promise for advancing renewable energy technologies.

Topics & Concepts

Density functional theoryWater splittingMaterials scienceBasal planeChemistryCrystallographyComputational chemistryCatalysisBiochemistryPhotocatalysisElectrocatalysts for Energy ConversionCopper-based nanomaterials and applicationsChalcogenide Semiconductor Thin Films
Ni–P codoping engineered MoS<sub>2</sub> basal planes for electrocatalytic water splitting: insights from density functional theory | Litcius