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We report a study of Co-doped berthierite Fe$_{1-x}$Co$_x$Sb$_2$S$_4$ ($x$ = 0, 0.1, and 0.2). The alloy series of Fe$_{1-x}$Co$_x$Sb$_2$S$_4$ crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb$_2$, and show…

Strongly Correlated Electrons · Physics 2018-04-24 Yu Liu , Chang-Jong Kang , Eli Stavitski , Qianheng Du , Klaus Attenkofer , G. Kotliar , C. Petrovic

Oxygen transport membranes (OTMs), enabling catalytic reaction and gas separation, support crucial chemical engineering processes and decarbonization technologies, but their applications are hindered by limited oxygen permeation fluxes and…

Materials Science · Physics 2026-02-26 Zaichen Xiang , Rui Chen , Shuangyue Wang , Jingjun Qin , Wanyi Zhang , Yucheng Li , Lingyong Zeng , Huixia Luo

The perovskite-type iron oxide Sr$_{2/3}$La$_{1/3}$FeO$_3$ is known to show characteristic spin-charge ordering (SCO), where sixfold collinear spin ordering and threefold charge ordering are coupled with each other. Here, we report the…

Calcium batteries (CBs) are potential next-generation energy storage devices, offering a promising alternative to lithium-ion batteries due to their theoretically high energy density, better safety, and lower costs associated with the…

Materials Science · Physics 2024-12-17 Dereje Bekele Tekliye , Gopalakrishnan Sai Gautam

We designed a high-entropy doped NASICON cathode, Na$_3$V$_{1.9}$(CrMoAlZrNi)$_{0.1}$(PO$_4$)$_3$ and investigate its electrochemical performance for sodium-ion batteries (SIBs) to understand the diffusion mechanism including distribution…

Materials Science · Physics 2026-02-05 Manish Kr. Singh , Rajendra S. Dhaka

Lowering the operating temperature of Solid Oxide Fuel Cells (SOFCs) is essential for improving durability and enabling large scale commercialization. Mixed ionic-electronic conductors (MIECs) of the Ruddlesden-Popper family, such as…

This paper reports on the development of a technology involving $^{100}$Mo-enriched scintillating bolometers, compatible with the goals of CUPID, a proposed next-generation bolometric experiment to search for neutrinoless double-beta decay.…

Lead-free Cs$_3$Cu$_2$X$_5$ (X = Cl, Br, I) halides exhibit high photoluminescence quantum yields and excellent ambient stability, yet light-emitting devices based on these materials remain limited by poor optical outcoupling. In this work,…

In the search for improved permanent magnets, fueled by the geostrategic and environmental issues associated with rare-earth-based magnets, magnetically hard (high anisotropy)-soft (high magnetization) composite magnets hold promise as…

Spin-orbit coupling (SOC) lifts molecular orbital degeneracy, enabling bi-level electronic platforms suitable for next-generation digital devices. However, common light-atom molecular feedstocks exhibit weak SOC due to the absence of heavy…

Materials Science · Physics 2025-05-07 Zihao Wang , Wan-Lu Li , Shaowei Li

Perovskite SrVO$_3$ has recently been proposed as a novel electron emission cathode material. Density functional theory (DFT) calculations suggest multiple low work function surfaces and recent experimental efforts have consistently…

We explore a material design strategy to optimize the thermoelectric power factor. The approach is based on screening the band structure changes upon a controlled volume change. The methodology is applied to the binary silicides and…

Materials Science · Physics 2015-09-30 Sandip Bhattacharya , Georg K. H. Madsen

Oxygen stoichiometry is one of the most important elements in determining the physical properties of transition metal oxides (TMOs). A small fractional change in the oxygen content, resulting in the variation of valence state of the…

Materials Science · Physics 2013-07-17 Hyoungjeen Jeen , Woo Seok Choi , John W. Freeland , Hiromichi Ohta , Chang Uk Jung , Ho Nyung Lee

Transition metal oxides are promising candidates for thermoelectric applications, because they are stable at high temperature and because strong electronic correlations can generate large Seebeck coefficients, but their thermoelectric power…

Strongly Correlated Electrons · Physics 2017-06-29 P. Yordanov , P. Wochner , S. Ibrahimkutty , C. Dietl , F. Wrobel , R. Felici , G. Gregori , J. Maier , B. Keimer , H. -U. Habermeier

High-efficiency organic photocathodes, based on regioregular poly(3-hexylthiophene) and phenyl-C61-butyric acid methyl ester (rr-P3HT:PCBM) bulk heterojunction sandwiched between charge-selective layers, are emerging as efficient and…

High electronic transport and reasonable chemical stability of molybdenum disulfide (MoS$_2$) make it very suitable for electrochemical applications. However, its energy storage capacity is still low compared with other nanostructures. In…

Applied Physics · Physics 2022-08-19 Marzieh Rashidi , Foad Ghasemi

Recent experiments demonstrated robust ferroelectricity in Mg-doped ZnO (ZMO) of the wurtzite structure, hinting at a promising strategy to substantially expand the list of ferroelectrics by doping conventional piezoelectrics. We…

Materials Science · Physics 2022-12-05 Jiawei Huang , Yihao Hu , Shi Liu

Efficient electrochemical energy devices are vital to renewable energy technology, yet coordinating the effective flow of electrons, ions, and chemical species continues to be a major challenge. In conventional proton-exchange membrane fuel…

Recently, several research groups announced reaching the point of metallization of hydrogen above 400 GPa. Following the mainstream of extensive investigations of compressed polyhydrides, in this work we demonstrate that small (4 atom %)…

Hydrogen production via the Hydrogen Evolution Reaction (HER) is critical for sustainable energy solutions, yet the reliance on expensive platinum (Pt) catalysts limits scalability. Zirconium-doped (\ce{Zr}-doped) MXenes, such as \ce{Ti3C2}…

Materials Science · Physics 2025-01-28 Shrestha Dutta , Rudra Banerjee