Unleashing the Potential of All-Perovskite Tandem Solar Cell Structures: A Hybrid DFT and Numerical Simulation Insights
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61988987%3A17310%2F25%3AA2603BH4" target="_blank" >RIV/61988987:17310/25:A2603BH4 - isvavai.cz</a>
Result on the web
<a href="https://ieeexplore.ieee.org/document/11095421/" target="_blank" >https://ieeexplore.ieee.org/document/11095421/</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1109/tnano.2025.3592232" target="_blank" >10.1109/tnano.2025.3592232</a>
Alternative languages
Result language
angličtina
Original language name
Unleashing the Potential of All-Perovskite Tandem Solar Cell Structures: A Hybrid DFT and Numerical Simulation Insights
Original language description
The widespread use of lead-based perovskites in photovoltaic (PV) applications is hindered by their toxicity, instability, and environmental concerns, creating a critical need for sustainable alternatives. In this study, we explore the structural and optoelectronic properties of the lead-free, all-inorganic Sr3NX3 (X = I, Br, Cl, F) perovskite family using density functional theory (DFT) and many-body perturbation theory (GW-BSE). These materials exhibit direct bandgaps tunable from 1.04 eV to 2.65 eV and high absorption coefficients ( 105 cm −1), demonstrating their potential as efficient absorber layers in photovoltaic devices. Numerical simulations using SCAPS-1D are performed to evaluate device performance in both uni-junction and tandem solar cell (TSC) architectures. Among the uni-junction configurations, the Sr3NBr3-based device achieved the highest power conversion efficiency (PCE) of 23.06%. A monolithic TSC composed of Sr3NBr3 (top) and Sr3NI3 (bottom) absorbers attained a PCE of 30.22%, with an open circuit voltage (Voc) of 1.75 V and short circuit current density (Jsc) of 20.8 mA/cm2. This work demonstrates the practical viability of lead-free Sr-based perovskites and offers a promising pathway toward high-efficiency, stable, and environmentally friendly solar energy technologies.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
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Continuities
V - Vyzkumna aktivita podporovana z jinych verejnych zdroju
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
IEEE Transactions on Nanotechnology
ISSN
1536-125X
e-ISSN
1941-0085
Volume of the periodical
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Issue of the periodical within the volume
July
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
390-397
UT code for WoS article
001673326900001
EID of the result in the Scopus database
2-s2.0-105011985579