DOI: 10.1039/d6dd00261g ISSN: 2635-098X

Decoding dopant-induced electronic modulation in graphene via region-resolved machine learning of XANES

Yinan Wang, Arpita Varadwaj, Teruyasu Mizoguchi, Masato Kotsugi

Region-resolved machine learning of C K-edge XANES reveals that the π region contains the dominant information for predicting dopant-induced local electronic structure and bonding in graphene.