First-principles calculations into electronic, and excitonic effects of CH3NH3PbX3 (X = Br, I) perovskite solar cells

Thi Han, Nguyen; Le Manh, Tu; Khuong Dien, Vo

doi:10.1016/j.physb.2024.415915

Physica B: Condensed Matter

2024

DOI: 10.1016/j.physb.2024.415915

|View full text |Cite

First-principles calculations into electronic, and excitonic effects of CH3NH3PbX3 (X = Br, I) perovskite solar cells

Nguyen Thi Han,

Tu Le Manh,

Vo Khuong Dien

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 53 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Study of structural, mechanical, thermal, and electronic structure properties of A2SnCl6 (A = Cs, Rb) perovskites for energy generation applications

Alsalmi,

Rashid

2024

JOR

View full text Add to dashboard Cite

The structural, mechanical, thermal, and electronic structure properties of lead-free vacancy-ordered perovskites A2SnCl6 (A = Cs, Rb) were investigated by first-principles calculations under pressure in the DFT framework. DFT is used to study the effect of pressure (0–40 GPa) on these properties of A2SnCl6 (A = Cs, Rb) perovskites. The mechanical parameters show that these two perovskites in nature are mechanically stable, anisotropic, and ductile. It is shown that, as pressure increases, the electronic band gap of Cs2SnCl6 and Rb2SnCl6 increases from 3.495 eV to 4.958 eV and 3.446 eV to 4.722 eV, respectively. Electronic structure calculations show that Sn s orbitals and halogen Cl p orbitals mainly form the conduction band through combination, while the valence band consists only of halogen Cl p orbitals. The mechanical and electronic properties analysis proposes that these two perovskites are potential candidates for optoelectronic applications that work under changing pressure and altitude.

show abstract

Study of structural, mechanical, thermal, and electronic structure properties of A2SnCl6 (A = Cs, Rb) perovskites for energy generation applications

Alsalmi,

Rashid

2024

JOR

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

First-principles calculations into electronic, and excitonic effects of CH3NH3PbX3 (X = Br, I) perovskite solar cells

Cited by 1 publication

References 53 publications

Study of structural, mechanical, thermal, and electronic structure properties of A2SnCl6 (A = Cs, Rb) perovskites for energy generation applications

Study of structural, mechanical, thermal, and electronic structure properties of A2SnCl6 (A = Cs, Rb) perovskites for energy generation applications

Contact Info

Product

Resources

About