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2D MXenes have been found to be one of the most promising catalysts for hydrogen evolution reaction (HER) due to their excellent electronic conductivity, hydrophilic nature, porosity and stability. Nonmetallic (NM) element doping is an effective approach to enhance the HER catalytic performance. By using the density functional theory (DFT) method, we researched the effect of nonmetallic doping (different element types, variable doping concentrations) and optimal hydrogen absorption concentration on the surface of NM-Ti3C2O2 for HER cataly

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