首页|Band gap modulation of penta-BCN through different ways
Band gap modulation of penta-BCN through different ways
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
NSTL
Elsevier
? 2022 Elsevier B.V.The electronic structures of a series of penta-BCN monolayers with point-defect, compression and tensile strains, and heteroatom substitution were investigated by the first principle calculations. It was found that the ±10% biaxial strains on penta-BCN monolayer lead to a change in band gap from 2.65–3.37 eV. The B and N point-defects open the magnetism and a significant decrease in band gap of penta-BCN monolayer. The influences of heteroatoms on band gap of penta-BCN were also studied. It was shown that the substitution of Al and Ga lead to a significant decrease in band gap. Our study indicates that the band gap of penta-BCN can be efficiently modulated through different ways, which will expand the application of penta-BCN in photoelectric and photovoltaic fields.
Band gapDefectPenta-BCNStrain engineeringSubstitution
Wei M.、Dou X.、Jiang G.、Zhou L.、Xiao K.、Song J.、Du J.
展开 >
Institute of Atomic and Molecular Physics Sichuan University
Institute of Materials China Academy of Engineering Physics
NSTL
Elsevier
