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1.
Zeitschriftenartikel
105 (1), 014103 (2022)
Limitations of empirical supercell extrapolation for calculations of point defects in bulk, at surfaces, and in two-dimensional materials. Physical Review B 2.
Zeitschriftenartikel
5 (12), 124004 (2021)
Charged vacancy defects in monolayer phosphorene. Physical Review Materials 3.
Zeitschriftenartikel
4 (11), 114002 (2020)
First-principles investigation of charged dopants and dopant-vacancy defect complexes in monolayer MoS2. Physical Review Materials 4.
Zeitschriftenartikel
4 (6), 064004 (2020)
Stability of charged sulfur vacancies in 2D and bulk MoS2 from plane-wave density functional theory with electrostatic corrections. Physical Review Materials