Contact evaluation of the penta-PdPSe/graphene vdW heterojunction: tuning the Schottky barrier and optical properties.
Phys Chem Chem Phys
; 26(14): 11014-11022, 2024 Apr 03.
Article
em En
| MEDLINE
| ID: mdl-38526444
ABSTRACT
In this work, we design a van der Waals heterojunction composed of semiconducting penta-PdPSe and semi-metallic graphene (G) monolayers based on state-of-the-art theoretical calculations. Our results show that both monolayers well preserve their intrinsic features and possess an n-type near Ohmic Schottky contact with a low Schottky barrier height of 0.085 eV for the electrons at the vertical interface. The electronic band alignment suggests a negative band bending of -1.47 eV at the lateral interface, implying electrons as the major transport carriers. Moreover, the transmission gap closely mirrors the heterojunction's band gap, indicating a subtle yet profound interaction between graphene and penta-PdPSe monolayers, which leads to enhanced optical absorption coefficient reaching 106 cm-1 and strong conductivity spanning the visible to ultraviolet region. In addition, our study demonstrates the ability to modify the penta-PdPSe/G heterojunction interface, switching between p-type as well as Ohmic contacts by applying external electric fields. These properties render the penta-PdPSe/G heterojunction promising for optoelectronic applications.
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01-internacional
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MEDLINE
Idioma:
En
Ano de publicação:
2024
Tipo de documento:
Article