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The adsorption energy and electronic properties of sulfur dioxide (SO 2 ) adsorbed on different low-Miller index cobalt phosphide (CoP) surfaces were examined using density functional theory (DFT).

A DFT study of the adsorption energy and electronic interactions of the SO2 molecule on a CoP hydrotreating catalyst

A DFT study of the adsorption energy and electronic interactions of the SO₂ molecule on a CoP hydrotreating catalyst