Tuning the electronic properties and band gap engineering in stanene monolayers via codoping of Mn and Al/P/Ga/As atoms: A DFT study

Photocatalytic hydrogen evolution over Pt–Pd dual atom sites anchored on TiO2 nanosheets

“…The emergence of doping energy levels can reduce the Schottky barrier and the energy required for electronic transitions, which is conducive to the progress of the reaction. 47 In particular, the introduction of two different doping energy levels further reduced the energy required for electrons to transition to the bottom of the conduction band. This also meant that the utilization rate of visible light and energy conversion efficiency were improved.…”

Tuning electronic properties and ferromagnetism of CrI3 monolayers with doped transition-metal atoms

“…However, the origin of room-temperature ferromagnetism is still an intractable problem. The Kadioglo group demonstrated that functionalizing the monolayer stanene with various metal adatoms may significantly alter its magnetic and electrical characteristics [52]. Theoretical simulations revealed that Mn-doped MoTe 2 possesses long-range ferromagnetism of Mn spins, which is mediated by the AFM coupling in the delocalized p states of the chalcogen atoms and the localized Mn 3 d states [53].…”