Suh, Joonki Tan, Teck Leong Zhao, Weijie Park, Joonsuk Lin, Der-Yuh Park, Tae-Eon Kim, Jonghwan Jin, Chenhao Saigal, Nihit Ghosh, Sandip Wong, Zicong Marvin Chen, Yabin Wang, Feng Walukiewicz, Wladyslaw Eda, Goki Wu, Junqiao 2024-01-19T23:34:38Z 2024-01-19T23:34:38Z 2021-09-03 2018-01 2041-1723 https://pubs.kist.re.kr/handle/201004/121889 Doping of traditional semiconductors has enabled technological applications in modern electronics by tailoring their chemical, optical and electronic properties. However, substitutional doping in two-dimensional semiconductors is at a comparatively early stage, and the resultant effects are less explored. In this work, we report unusual effects of degenerate doping with Nb on structural, electronic and optical characteristics of MoS2 crystals. The doping readily induces a structural transformation from naturally occurring 2H stacking to 3R stacking. Electronically, a strong interaction of the Nb impurity states with the host valence bands drastically and nonlinearly modifies the electronic band structure with the valence band maximum of multilayer MoS2 at the Gamma point pushed upward by hybridization with the Nb states. When thinned down to monolayers, in stark contrast, such significant nonlinear effect vanishes, instead resulting in strong and broadband photoluminescence via the formation of exciton complexes tightly bound to neutral acceptors. English Nature Publishing Group Reconfiguring crystal and electronic structures of MoS2 by substitutional doping Article 10.1038/s41467-017-02631-9 1 Nature Communications, v.9 Nature Communications 9 Y scie scopus 000422646600002 2-s2.0-85040798061 Multidisciplinary Sciences Science & Technology - Other Topics Article TOTAL-ENERGY CALCULATIONS SINGLE-LAYER MOS2 MONOLAYER MOS2 PHOTOLUMINESCENCE EFFICIENCY STACKING CONTACTS SURFACE