Results 121 to 130 of about 42,195 (291)

Powder diffraction crystal structure determination using generative models

open access: yesNature Communications
Accurate crystal structure determination is critical across all scientific disciplines involving crystalline materials. However, solving and refining crystal structures from powder X-ray diffraction (PXRD) data is traditionally a labor-intensive process ...
Qi Li   +8 more
doaj   +1 more source

Structural analysis and Rietveld refinement of YCr1-xFexO3 (x=0, 0.5) perovskite samples calcined at two different temperatures

open access: yesChemical Physics Impact
In the present work, we have synthesized polycrystalline YCr1-xFexO3 (x = 0, 0.5) perovskite samples using the traditional high-temperature solid-state reaction route (HT-SSRR) at two different temperatures for calcination (1000 °C as well as 1150 °C ...
Lakhan Kumar Parmar   +5 more
doaj   +1 more source

Electride‐Induced Electronic Modulation of Ruthenium Catalyst for Highly Efficient Alkaline Hydrogen Evolution

open access: yesAdvanced Science, EarlyView.
Electrides offer unique opportunities as catalyst supports for hydrogen evolution reactions. This study presents an electride‐supported Ru/Nd2ScSi2 catalyst exhibiting outstanding hydrogen evolution reaction performance and excellent stability. Anionic Ru species on the electride surface facilitate water dissociation and optimize hydrogen adsorption ...
Zhiqi Wang   +5 more
wiley   +1 more source

Crystal Properties 4SO2Influence of Doping on K

open access: yesIbn Al-Haitham Journal for Pure and Applied Sciences, 2017
Single crystals of pure and Cu+2,Fe+2 doped potassium sulfate were grown from aqueous solutions by the slow evaporation technique at room temperature. with dimension of (11x9 x4)mm3 and ( 10x 8x 5)mm3 for crystal doping with Cu &Fe respectively.
Tariq A.Al- Dahair, Maryam E.Al-Mahdawy
doaj  

Tetragonal to orthorhombic phase transition in SmFeAsO: a synchrotron powder diffraction investigation

open access: yes, 2008
The crystal structure of SmFeAsO has been investigated by means of Rietveld refinement of high resolution synchrotron powder diffraction data collected at 300 K and 100 K. The compound crystallizes in the tetragonal P4/nmm space group at 300 K and in the
Emerich, E.   +4 more
core  

Unraveling the Synergistic Activity‐Stability Enhancement of a High‐Entropy Perovskite Air Electrode for Dual Ceramic Electrochemical Cells

open access: yesAdvanced Science, EarlyView.
A high‐entropy air electrode material, Gd0.2Pr0.2Ba0.2Sr0.2Ca0.2FeO3−δ (GPBSCF), is developed for both solid oxide fuel cells and reversible protonic ceramic cells. Its enhanced activity stems from increased oxygen vacancies/holes. The stability improvement is attributed to lattice distortion, while thermal expansion reduction is synergistically due to
Ying Zhang   +9 more
wiley   +1 more source

Structural and Compositional Effects on the Scintillation Properties of Fast Emitting Metal‐Organic Frameworks

open access: yesAdvanced Science, EarlyView.
The crystalline structure, the atomic numbers of the constituent elementsand the size of MOF crystals each influence their photoluminescence and scintillation properties in distinct ways. Together, these factors provide valuable guidelines for designing systems with optimized performance and tunable timing characteristics, arising from the synergistic ...
Francesca Cova   +8 more
wiley   +1 more source

Tailored Catalytic Microenvironments Enable Efficient Electrochemical Ammonia Production

open access: yesAdvanced Science, EarlyView.
This study shows that Co2+ substitution in inverse spinel FeFeCoO4 constructs an integrated catalytic microenvironment for efficient nitrate‐to‐ammonia reduction. Jahn–Teller distortion activates Fe sites for *H generation, while hard–soft acid–base regulated dual‐metal sites optimize proton‐coupled electron transfer and intermediate adsorption ...
Qi Zhang   +8 more
wiley   +1 more source

Zero Thermal Expansion and Local Structure in KxMnxFe2‐xMo3O12‐Based Materials

open access: yesAdvanced Science, EarlyView.
Local structure engineering via ion insertion drives local structural transformation from low‐symmetry P21/a to high‐symmetry R‐3c, enhancing structural flexibility and realizing a transition from positive thermal expansion to wide‐temperature‐range zero thermal expansion in KxMnxFe2‐xMo3O12‐based materials.
Gongsen He   +13 more
wiley   +1 more source

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