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Theoretical Design of the Absorber for Intermediate Band Solar Cells from Group‐IV (Si, Ge, and Sn)‐Doped AgAlSe 2
Author(s) -
Jiang Jingwen,
Cen Xiaoxia,
Dong Wenquan,
Zhou Wenzheng,
Liang Xianqing,
Liu Yixin,
Guo Jin,
Huang Dan
Publication year - 2018
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201800031
Subject(s) - band gap , doping , solar cell , materials science , electronic band structure , heterojunction , delocalized electron , optoelectronics , antibonding molecular orbital , multiple exciton generation , crystallography , condensed matter physics , chemistry , physics , atomic orbital , electron , organic chemistry , quantum mechanics
Recently, chalcopyrite compounds have been extensively studied as the absorber for solar cells. Inserting an intermediate band in the main band gap of the absorber has been proposed to exceed the Shockley–Queisser limit on single band solar cells. In this paper, the group‐IV elements Si, Ge, and Sn substituting at Al site in AgAlSe 2 to form an intermediate band in the main band gap has been studied by first‐principles calculations. The half‐filled intermediate bands from the antibonding state of group‐IV s state and Se‐p state show delocalized characteristics and just shift from each other in Si, Ge, and Sn‐doped AgAlSe 2 . Based on the analysis on the position of the intermediate band and defect formation energy, Si‐doped AgAlSe 2 has been excluded and Ge and Sn‐doped AgAlSe 2 have been suggested as promising absorber for the intermediate band solar cell. A heterojunction based on CuAlTe 2 , AgAlSe 2 :Sn, and CdS has been proposed as a suitable device for intermediate band solar cells after considering the lattice mismatch and band alignment.