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1. Candidates for p-type doping of ZnGeN 2

   https://doi.org/10.1063/1.5132338  

   Skachkov, Dmitry ; Lambrecht, Walter R. L. ( February 2020 , Journal of Applied Physics)
2. Near‐Unity Molecular Doping Efficiency in Monolayer MoS 2

   https://doi.org/10.1002/aelm.202000873  

   Yarali, Milad ; Zhong, Yiren ; Reed, Serrae N. ; Wang, Juefan ; Ulman, Kanchan A. ; Charboneau, David J. ; Curley, Julia B. ; Hynek, David J. ; Pondick, Joshua V. ; Yazdani, Sajad ; et al ( December 2020 , Advanced Electronic Materials)

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3. Controlling n -Type Doping in MoO 3

   https://doi.org/10.1021/acs.chemmater.6b04479  

   Peelaers, H. ; Chabinyc, M. L. ; Van de Walle, C. G. ( March 2017 , Chemistry of Materials)
4. Investigation of n-type doping strategies for Mg 3 Sb 2

   https://doi.org/10.1039/c8ta03344g  

   Gorai, Prashun ; Ortiz, Brenden R. ; Toberer, Eric S. ; Stevanović, Vladan ( January 2018 , Journal of Materials Chemistry A)

   Recent, and somewhat surprising, successful n-type doping of Mg 3 Sb 2 was the key to realizing high thermoelectric performance in this material. Herein, we use first-principles defect calculations to investigate different extrinsic n-type doping strategies for Mg 3 Sb 2 and to reveal general chemical trends in terms of dopant solubilities and maximal achievable electron concentrations. In agreement with experiments, we find that Sb substitution is an effective doping strategy, with Se and Te doping predicted to yield up to ∼8 × 10 19 cm −3 electrons. However, we also find that Mg substitution with trivalent (or higher) cations can be even more effective; in particular, the predicted highest achievable electron concentration (∼5 × 10 20 cm −3 ) with La as an extrinsic dopant exceeds that of Se and Te doping. Interstitial doping (Li, Zn, Cu, Be) is found to be largely ineffective either due to self-compensation (Li) or high formation energy (Zn, Cu, Be). Our results offer La as an alternative dopant to Te and Se and reinforce the need for careful phase boundary mapping in achieving high electron concentrations in Mg 3 Sb 2 . 

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5. Increasing Magnetic Hardness of Fe 3 Se 4 via Cu Doping

   https://doi.org/10.1021/acs.jpcc.1c06841  

   Saucedo, Luis A. ; Clark, Judith K. ; Winfred, J. S. ; Strouse, Geoffrey F. ; Shatruk, Michael ( November 2021 , The Journal of Physical Chemistry C)