The interlayer coupling modulation of a g-C3N4/WTe2 heterostructure for solar cell applications.
RSC Adv
; 12(2): 998-1004, 2021 Dec 22.
Article
em En
| MEDLINE
| ID: mdl-35425138
ABSTRACT
Constructing van der Waals (vdW) heterostructures has been proved to be an excellent strategy to design or modulate the physical and chemical properties of 2D materials. Here, we investigated the electronic structures and solar cell performances of the g-C3N4/WTe2 heterostructure via first-principles calculations. It is highlighted that the g-C3N4/WTe2 heterostructure presents a type-II band edge alignment with a band gap of 1.24 eV and a corresponding visible light absorption coefficient of â¼106 cm-1 scale. Interestingly, the band gap of the g-C3N4/WTe2 heterostructure could increase to 1.44 eV by enlarging the vdW gap to harvest more visible light energy. It is worth noting that the decreased band alignment difference resulting from tuning the vdW gap, leads to a promotion of the power conversion efficiency up to 17.68%. This work may provide theoretical insights into g-C3N4/WTe2 heterostructure-based next-generation solar cells, as well as a guide for tuning properties of vdW heterostructures.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
RSC Adv
Ano de publicação:
2021
Tipo de documento:
Article
País de publicação:
ENGLAND
/
ESCOCIA
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GB
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GREAT BRITAIN
/
INGLATERRA
/
REINO UNIDO
/
SCOTLAND
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UK
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UNITED KINGDOM