Issue 23, 2020

Tunable n-type and p-type doping of two-dimensional layered PdSe2via organic molecular adsorption

Abstract

Palladium diselenide (PdSe2) is a two-dimensional (2D) transition metal dichalcogenide (TMD) semiconductor with desirable properties for nanoelectronics. Here, we demonstrate that 2D layered PdSe2 adsorbed with two kinds of organic molecules, an electrophilic molecule tetracyano-p-quinodimethane (TCNQ) as an electron acceptor and a nucleophilic molecule tetrathiafulvalene (TTF) as an electron donor, can realize tunable p-type and n-type doping of 2D PdSe2 by using first-principles density functional theory (DFT) calculations. We find that TCNQ attracts electrons from PdSe2 and introduces shallow acceptor states close to the valence band edge, resulting in p-type doping of PdSe2, while TTF donates electrons into PdSe2 and introduces shallow donor states close to the conduction band edge, resulting in n-type doping of PdSe2. Furthermore, such p-type and n-type doping of PdSe2 can be efficiently controlled with an external electric field, interlayer distance and substrate thickness. Such effective bipolar doping of PdSe2via molecular adsorption would broaden its applications in nanoelectronics.

Graphical abstract: Tunable n-type and p-type doping of two-dimensional layered PdSe2via organic molecular adsorption

Supplementary files

Article information

Article type
Paper
Submitted
18 Mar 2020
Accepted
08 May 2020
First published
19 May 2020

Phys. Chem. Chem. Phys., 2020,22, 12973-12979

Tunable n-type and p-type doping of two-dimensional layered PdSe2via organic molecular adsorption

Y. Gao, X. Liu, W. Hu and J. Yang, Phys. Chem. Chem. Phys., 2020, 22, 12973 DOI: 10.1039/D0CP01484B

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