@Article{CL.2025.2212.1067,
AUTHOR = {M. Tariq, R. Ahmed, S. A. Tahir, B. U. Haq, F. K. Butt, M. W. Majeed, A. Hussain},
TITLE = {Engineered 2D PbX (X = S, Se, Te) Monochalcogenides: Pressure-Tuned Optoelectronic Properties for Deep-Space Photovoltaics},
JOURNAL = {Chalcogenide Letters},
VOLUME = {22},
YEAR = {2025},
NUMBER = {12},
PAGES = {1067--1079},
URL = {http://www.techscience.com/CL/v22n12/65649},
ISSN = {1584-8663},
ABSTRACT = {The two-dimensional IV-monochalcogenides, such as lead sulfide (PbS), lead selenide (PbSe), and lead telluride
(PbTe), represent a promising class of materials known for their remarkable optoelectronic properties. The calculated
binding energies for the puckered phase were –4.25 eV for PbS, –4.20 eV for PbSe, and –3.02 eV for PbTe, indicating 
strong stability in PbS and PbSe compared to PbTe. The electronic analysis showed that PbS exhibited a band gap of 1.01 
eV, while PbSe had a slightly lower band gap of 0.70 eV. Under applied pressure, both materials demonstrated an increase
in band gap, rising to 1.90 eV for PbS and 1.32 eV for PbSe, suggesting enhanced semiconducting behavior. In contrast,
PbTe displayed non-monotonic behavior in its band gap variation with pressure, reflecting its complex electronic 
structure. Overall, PbS showed excellent potential for boosting solar cell efficiency, while PbSe confirmed its promise for 
advanced photovoltaic device applications. },
DOI = {10.15251/CL.2025.2212.1067}
}