Developing reliable descriptors that correlate catalyst electronic structure with performance is crucial for designing efficient single-atom catalysts (SACs). Here, we report a systematic first-principles study of CO oxidation on single transition-metal atoms (Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, and Pt) anchored on 2D BiCu...
Xingchen Jin, Ruoqi Zhang, Yongfang Li et al.· Journal of Physical Chemistr...· 0 citations
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