First-principles calculations of orthorhombic chalcogenide ABX3 (A= Ca, Sr, Ba; B= Ge, Sn; X= O, S, Se, Te) perovskites by cation and anion variation
T Tang, Y Tang - Inorganic Chemistry Communications, 2025 - Elsevier
The first-principles calculations are used to investigate on the structural, electronic, optical
properties of orthorhombic chalcogenide ABX 3 (A= Ca, Sr, Ba; B= Ge, Sn; X= O, S, Se, Te) …
properties of orthorhombic chalcogenide ABX 3 (A= Ca, Sr, Ba; B= Ge, Sn; X= O, S, Se, Te) …
Flexibility potential of Cs2BX6 (B= Hf, Sn, Pt, Zr, Ti; X= I, Br, Cl) with application in photovoltaic devices and radiation detectors
S Wang, C Chen, S Shi, Z Zhang, Y Cai, S Gao… - Journal of Energy …, 2024 - Elsevier
As interest in double perovskites is growing, especially in applications like photovoltaic
devices, understanding their mechanical properties is vital for device durability. Despite …
devices, understanding their mechanical properties is vital for device durability. Despite …
First-principles study of the structural, mechanical, dynamical, and transport properties of Cs2NaInX6 [X= Br, I] for thermoelectric applications
Thermoelectricity generation techniques utilized for conversion of waste heat into electric
power are currently gaining prominence. It is necessary that for improved efficiency, the …
power are currently gaining prominence. It is necessary that for improved efficiency, the …
Computational study of the lattice type, band structure, and thermoelectric properties of LiSbX2 (X= S, Se, Te)
Chalcogenide materials have garnered significant attention for their excellent performance
in optoelectronic and thermoelectric applications. This study explores the band structure and …
in optoelectronic and thermoelectric applications. This study explores the band structure and …
Study of the Impact of Strain on the Physical Properties of the Li2SnI6 Compound
Perovskites represent distinctive materials suitable for both transport and optoelectronic
applications, harnessing renewable resources to produce energy. In this study, the …
applications, harnessing renewable resources to produce energy. In this study, the …
Computational Investigation of Rb₂Rex₆ (X= Cl, Br, I) Vacancy-Ordered Double Perovskites: From Structural Stability to Thermoelectric Performance
MEA EL Goutni, A Remil, M Saidi, M Batouche… - Available at SSRN … - papers.ssrn.com
We have extensively studied the vacancy-ordered double perovskite compounds Rb2ReX6,
focusing on their structural, electronic, mechanical, and TE properties. We are examining the …
focusing on their structural, electronic, mechanical, and TE properties. We are examining the …
[HTML][HTML] 钙钛矿材料： 热电领域的潜力之星
周露露， 张馨月， 林春丹， 杨振清， 张万松， 安峰辰 - 工程研究 - pubs.cstam.org.cn
硫系和卤化物钙钛矿材料具有优良的热电输运性能, 以及易制备, 稳定性良好等诸多优点,
因而受到了广泛关注. 筛选具有热电潜力的钙钛矿材料和提升现有钙钛矿材料的热电性能是目前 …
因而受到了广泛关注. 筛选具有热电潜力的钙钛矿材料和提升现有钙钛矿材料的热电性能是目前 …