相关论文: Compositionally Complex Perovskite Oxides for Sola…
Perovskite yttrium tantalum oxynitride is theoretically proposed as a promising semiconductor for solar water splitting because of the predicted bandgap and energy positions of band edges. In experiment, however, we show here that depending…
SrVO3 (SVO) is a prospective candidate to replace the conventional indium-tin-oxide (ITO) among the new transparent conducting oxide (TCO) generation. In this study, the structural, electrical, and optical properties of SVO thin films, both…
The smoothed particle hydrodynamics (SPH) method is a useful numerical tool for the study of a variety of astrophysical and planetlogical problems. However, it turned out that the standard SPH algorithm has problems in dealing with…
Controlling grain orientations within polycrystalline all-inorganic halide perovskite solar cells can help increase conversion efficiencies toward their thermodynamic limits, however the forces governing texture formation are ambiguous.…
In this paper, we present a new formulation of smoothed particle hydrodynamics (SPH), which, unlike the standard SPH (SSPH), is well-behaved at the contact discontinuity. The SSPH scheme cannot handle discontinuities in density (e.g. the…
A generic method to estimate the relative feasibility of formation of high entropy compounds in a single phase, directly from first principles, is developed. As a first step, the relative formation abilities of 56 multi-component, AO,…
We report the observation of spin glass state in the double perovskite oxide Sr$_{2}$FeCoO$_{6}$ prepared through sol-gel technique. Initial structural studies using x rays reveal that the compound crystallizes in tetragonal $I 4/m$…
Identifying materials that simultaneously straddle the water redox potentials and possess an intrinsic electric field is crucial for achieving high solar-to-hydrogen (STH) efficiency. Using state-of-the-art first-principles calculations,…
The relationship between charge and structure dictates the properties of electrochemical systems. For example, reversible Na-ion intercalation - a low-cost alternative to Li-ion technology - often induces detrimental structural phase…
Perovskite metal-organic frameworks (MOFs) have recently emerged as potential candidates for multiferroicity. However, the compounds synthesized so far possess only weak ferromagnetism and low polarization. Additionally, the very low…
This invited talk will review a series of our recent studies on high-entropy ceramics (HECs) and compositionally complex ceramics (CCCs) and discuss the future perspective. Various single-phase equimolar quinary (five-component) HECs, e.g.,…
Electrocatalysts based on transition metal sulfides are drawing accelerating concerns in renewable energy research because of their intrinsically excellent activities towards both hydrogen evolution reaction and oxygen evolution reaction.…
The Perovskite absorber layer, the electron transport layer (ETL), the hole transport layer (HTL), and the transparent conducting oxide layer (TCO) are the major components that make up a Perovskite solar cell. Between ETL and HTL, the…
The tri-layered perovskite Sr4Rh3O10 is reported for the first time. High-pressure and high-temperature heating (6 GPa and 1500 C) brought about successful preparation of a polycrystalline sample of the expected member at n=3 of…
Mixed-anion mixed-cation perovskites with (FAPbI$_3$)$_{1-x}$(MAPbBr$_3$)$_x$ composition have allowed record efficiencies in photovoltaic solar cells, but their atomic-scale behaviour is not well understood yet, in part because their…
Perovskites are mixed oxides with the general formula ABO3. Many different compositions have been found to be possible and their number is growing rapidly due to their characteristics that make them ideal for various applications, such as…
Large scale production of hydrogen by electrochemical water splitting is considered as a promising technology to address critical energy challenges caused by the extensive use of fossil fuels. Although nonprecious nickel-based catalysts…
Cobalt-porphyrin catalyzed reductive decomposition of CO2 to CO is investigated based on Koper's water facilitated CO2 reduction mechanism using a simple but accurate protocol based on thermodynamics. In our protocol, accurate predictions…
One of the main challenges for perovskite solar cells (PSC) is their stability, due to environment-induced perovskite decomposition. The resulting decomposition compounds are mobile and may, therefore, react with charge carrier extraction…
The material class of hybrid organic-inorganic perovskites has risen rapidly from a virtually unknown material in photovoltaic applications a short 7 years ago into a ~20% efficient thin-film solar cell material. As promising as this class…