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Single Rh atom substitution doping in NiS2 monolayer for density functional theory designing as a promising adsorbent or sensor upon N-containing gases

Hao Cui, Hailong Wu, Jian Hu, Xiaoping Jiang, Xiaoxing Zhang

2024Journal of environmental chemical engineering10 citationsDOI

Topics & Concepts

MonolayerDensity functional theoryAdsorptionSubstitution (logic)DopingAtom (system on chip)Materials scienceNanotechnologyChemistryComputational chemistryPhysical chemistryOptoelectronicsComputer scienceEmbedded systemProgramming language2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsAdvanced Thermoelectric Materials and Devices
Single Rh atom substitution doping in NiS2 monolayer for density functional theory designing as a promising adsorbent or sensor upon N-containing gases | Litcius