Photocatalytic CO2 reduction in metal–organic frameworks (MOFs) is often limited by inefficient charge separation and poorly defined active sites, while the role of crystallographic defect heterogeneity remains unclear. Taking MIL-125-NH2 as a prototypical system, we demonstrate that inequivalent oxygen vacancies dic...
Cheng Cheng, O. Prezhdo, R. Long· Journal of the American Chem...· 0 citations
Data-driven discovery of sodium-ion cathodes is often limited by small data sets and the poor interpretability of graph neural networks (GNNs). Here, we developed Symbol_ETR, an interpretable framework combining symbolic regression with ensemble learning. By constructing explicit nonlinear descriptors, symbolic regress...
Kong Meng, A. Vasenko, E. Chulkov et al.· Journal of Physical Chemistr...· 0 citations
The findings reveal that Sn oxidation is governed by carrier–lattice coupling through its control over the kinetic accessibility of Sn-centered hole localization, and they identify the suppression of VSn defects and the stabilization of I-rich surface terminations as key design principles for stable Sn–Pb perovskites.
Hao-Ran Lu, Kong Meng, Xu-Hui Xu et al.· Journal of the American Chem...· 0 citations
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