title: Fe/Co doped molybdenum diselenide: a promising two-dimensional intermediate-band photovoltaic material.
abstract: An intermediate-band (IB) photovoltaic material is an important candidate in developing the new-generation solar cell. In this paper, we propose that the Fe-doped or the Co-doped MoSe2 just meets the required features in IB photovoltaic materials. Our calculations demonstrate that when the concentration of the doped element reaches 11.11%, the doped MoSe2 shows a high absorptivity for both infrared and visible light, where the photovoltaic efficiency of the doped MoSe2 is as high as 56%, approaching the upper limit of photovoltaic efficiency of IB materials. So, the Fe- or Co-doped MoSe2 is a promising two-dimensional photovoltaic material.
authors.affiliation: Key Laboratory of Strongly-Coupled Quantum Matter Physics, Department of Physics, Hefei National Laboratory for Physical Science at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.
authors.forename: Jiajia
authors.initials: J
authors.lastname: Zhang
authors.forename: Haiyan
authors.initials: H
authors.lastname: He
authors.forename: Bicai
authors.initials: B
authors.lastname: Pan