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The structure of solid oxygen has been studied at pressures from 50 to 140~GPa using static structure search methods and molecular dynamics simulations with density functional theory and a hybrid exchange functional. Several crystalline…

材料科学 · 物理学 2023-09-26 Sabri F. Elatresh , V. Askarpour , S. A. Bonev

The simplest cuprate superconductor La2CuO4+y with mobile oxygen interstitials exhibits a clear phase separation, but only recently a bulk multiscale structural phase separation has been observed by using scanning micro X-ray diffraction.…

Critical to the development of improved solid oxide fuel cell (SOFC) technology are novel compounds with high oxygen reduction reaction (ORR) catalytic activity and robust stability under cathode operating conditions. Approximately 2145…

材料科学 · 物理学 2019-01-10 Ryan Jacobs , Tam Mayeshiba , John Booske , Dane Morgan

Composites comprising Poly(Methyl Methacrylate) (PMMA) and CaCu3Ti4O12 (CCTO) via melt mixing followed by hot pressing were fabricated. These were characterized using X-ray diffraction (XRD), thermo gravimetric (TGA), scanning electron…

材料科学 · 物理学 2013-01-18 P. Thomas , R. S. Ernest Ravindran , K. B. R. Varma

The significant surge in energy use and escalating environmental concerns have sparked worldwide interest towards the study and implementation of solar cell technology. Perovskite solar cells (PSCs) have garnered remarkable attention as an…

材料科学 · 物理学 2025-06-23 Md Yekra Rahman , Sharif Mohammad Mominuzzaman

The Fe-O system is fundamental to understanding the composition and properties of the Earth's core. Recent studies have suggested the possible existence of stable, iron-rich FenO compounds at around 215 GPa. Here, we performed…

材料科学 · 物理学 2025-12-04 Junjie Jiang , Zhen Zhang , Tongqi Wen , Renata M. Wentzcovitch , Yang Sun

We address the problem of the percolative phase separation in polycrystalline samples of Pr$_{0.5-\delta}$Ca$_{0.2+\delta}$Sr$_{0.3}$MnO$_3$ for $-0.04\leq \delta \leq 0.04$ (hole doping $n$ between 0.46 and 0.54). We perform measurements…

强关联电子 · 物理学 2009-11-07 Dario G. Niebieskikwiat , Rodolfo D. Sanchez , Liliana Morales , Boris Maiorov

Hydrogen is one of the prime candidates for clean energy source with high energy density. However, current industrial methods of hydrogen production are difficult to provide hydrogen with high purity, thus hard to meet the requirements in…

应用物理 · 物理学 2021-07-06 Liliang Tian , Humin Duan , Jiaming Luo , Yonghong Cheng , Le Shi

Synthesis methodology for flakes of p-terphenyl through sublimation under inert atmosphere of argon is presented. Flake morphology of p-terphenyl provides a favourable environment for efficient intercalation of potassium. Ratio of potassium…

超导电性 · 物理学 2018-09-26 P. Neha , V. Sahu , S. Patnaik

Rocky planets are thought to comprise compounds of Mg and O as these are among the most abundant elements, but knowledge of their stable phases may be incomplete. MgO is known to be remarkably stable to very high pressure and chemically…

A high temperature electrochemical oxidation process has been used to produce large single crystals of $La_2CuO_{4 + \delta}$ suitable for neutron scattering experiments. Below room temperature the oxygen-rich phases have structural…

The gas permeation behavior in the single crystal of syndiotactic polystyrene (s-PS) S-I form was investigated in detail, in comparison to that in the s-PS $\varepsilon$ form. The S-I form exhibits high CO$_2$/N$_2$ and CO$_2$/CH$_4$…

材料科学 · 物理学 2022-02-02 Yoshinori Tamai

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…

A simple analytical formula for three-dimensional Fermi surface (3D FS) of ${\rm Tl_{2}Ba_{2}CuO_{6+\delta}}$ is derived in the framework of LCAO approximation spanned over Cu~4s, Cu~3d$_{x^2-y^2}$, O~2p$_x$ and O~2p$_y$ states. This…

超导电性 · 物理学 2009-09-29 Martin Stoev , Todor Mishonov

Freestanding perovskite oxide membranes have drawn great attention recently since they offer exceptional structural tunability and stacking ability, providing new opportunities in fundamental research and potential device applications in…

材料科学 · 物理学 2023-07-28 Leyan Nian , Haoying Sun , Zhichao Wang , Duo Xu , Hao Bo , Shengjun , Yan , Yueying Li , Jian Zhou , Yu Deng , Yufeng Hao , Yuefeng Nie

Separation of salt ions from seawater using graphene oxide (GO) membrane is an emerging desalination method. Here, we investigate the dynamic behavior of water, sodium, and chloride ions inside GO membrane using a computational approach.…

化学物理 · 物理学 2021-08-25 One-Sun Lee

La1-xSrxCo0.25Fe0.75O3-delta is known as one of the best cathode materials for permeation membranes and solid oxide fuel cells. Optimization of its chemical composition is a challenging problem. One of the key properties is concentration of…

材料科学 · 物理学 2012-06-28 Denis Gryaznov , Mike W. Finnis , Robert Evarestov , Joachim Maier

A new layered perovskite-type oxide Ba$_2$RhO$_4$ was synthesized by a high-pressure technique with the support of convex-hull calculations. The crystal and electronic structure were studied by both experimental and computational tools.…

Ultrahigh water permeance, together with a high rejection rate through nanofiltration and separation membranes1,2, is crucial but still challenging for multivalent ion sieving in water treatment processes of desalination, separation, and…

The data by Q.Yang et al suggest absence of "ultrafast flow" of solvent across graphene oxide (GO) membranes. The "ultrafast flow" is result of using unrealistic geometrical model with close packed hole-free micrometer sized GO flakes…

应用物理 · 物理学 2018-12-11 Alexandr Talyzin