Transforming the electronic properties of phosphorene through charge transfer superatomic doping

被引:2
作者
Lambert, Ryan [1 ]
Reber, Arthur C. [1 ]
Khanna, Shiv N. [1 ]
机构
[1] Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA
关键词
METAL CHALCOGENIDE CLUSTERS; 2-DIMENSIONAL MATERIALS; SEMICONDUCTOR; OPPORTUNITIES; TRANSITION; MOLECULES;
D O I
10.1016/j.susc.2023.122269
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Phosphorene is a two-dimensional electron poor p-type semiconductor with great promise for applications in electronics and optoelectronics. Here, we propose how the two most important properties of a semiconductor, the band gap energy and the nature of carriers, can be controlled by changing the dimensionality or through charge transfer doping with metal-chalcogenide superatoms. Our studies on nanoribbons examine how the band gap can be changed by controlling the width of the ribbons. We investigate the stability and properties of bare and H-terminated nanoribbons. We show that small non-passivated ribbons can be metallic while the passivated ribbons show variation in the band gap energy as a function of the width of the ribbon. We next investigate an alternative approach to band gap and carrier control via doping with ligated metal-chalcogenide superatom clusters whose redox properties can be changed by ligand exchange. Our results obtained from deposition of Co6S8(PH3)5-n(CO)n clusters on a phosphorene support showed that the band gap energy can be controlled by exchanging the electron donating phosphine ligands with electron withdrawing CO. We then show that by depositing Re6Se8(PH3)5-nCln clusters, phosphorene can be converted into a p-or n-type semiconductor as the relative composition of ligands is changed. Our studies provide a novel approach to controlling carrier type and band gap in phosphorene.
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页数:10
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