The presence of charge transfer defect complexes in intermediate band cual1-pfeps2

HIGHLIGHTS

  • who: Christopher Dickens and colleagues from the School of Mathematics and Physics, University of Lincoln, Lincoln , TS, UK have published the research: The Presence of Charge Transfer Defect Complexes in Intermediate Band CuAl1-pFepS2, in the Journal: Crystals 2022, 12, 1823. of /2022/
  • what: The authors use density functional theory to investigate substitution in CuAlS2 and find that the formation energy of neutral 2+ + 2- defect complexes is comparable to 0 antisites when u2265 0.5. The authors focus on the replacement of indium with two earth-abundant and inexpensive elements, namely Al and Fe . . .

     

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