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The phase diagram of oxygen is investigated for pressures from 50 to 130~GPa and temperatures up 1200 K using first principles theory. A metallic molecular structure with the $P6_3/mmc$ symmetry ($\eta^{'}$ phase) is determined to be…

计算物理 · 物理学 2019-02-19 S. F. Elatresh , S. A. Bonev

High-temperature superconductivity is reported in a series of compositionally-complex cuprates with varying degrees of size and spin disorder. Three compositions of Y-site alloyed YBa$_2$Cu$_3$O$_{7-x}$, i.e., (5Y)BCO, were prepared using…

Copper oxide II is a p-type semiconductor that can be used in several applications. Focusing on producing such material using an easy and low-cost technique, we followed an acetate one-pot-like route for producing a polymer precursor…

We measured the microwave surface impedances and obtained the superfluid density and flux flow resistivity in single crystals of a phosphor-doped iron-based superconductor SrFe$_2$(As$_{1-x}$P$_{x}$)$_2$ single crystals ($x=0.30$, $T_c=25…

We have characterized the high-pressure behavior of alpha-SnWO4. The compound has been studied up to 30 GPa using a diamond-anvil cell and synchrotron powder X-ray diffraction. We report evidence of two structural phase transitions in the…

Knowledge of the atomic geometry of a surface is a prerequisite for any detailed understanding of the surface's electronic structure and chemical properties. Previous studies have convincingly demonstrated that density functional theory…

材料科学 · 物理学 2007-05-23 C. Stampfl , M. Scheffler

We report the synthesis and physical property characterization of PrFe1-xCoxAsO with x = 0.0 to 1.0. The studied samples are synthesized by solid state reaction route via vacuum encapsulation method. The pristine compound PrFeAsO does not…

超导电性 · 物理学 2015-06-18 Poonam Rani , Anand Pal , V. P. S. Awana

The Fe-Si-O ternary system, central to modeling the interiors of terrestrial planets, remains poorly constrained at Terapascal (TPa) pressures characteristic of super-Earth mantles. Using a combination of crystal-structure prediction and ab…

材料科学 · 物理学 2026-03-24 Nan Huang , Renata M. Wentzcovitch , Zepeng Wu , Feng Zheng , Bingxin Wu , Yang Sun , Shunqing Wu

We have developed x-ray diffraction measurements with high energy-resolution and accuracy to study water structure at three different temperatures (7, 25 and 66 C) under normal pressure. Using a spherically curved Ge crystal an energy…

Using an ab initio evolutionary algorithm combined with first-principles calculations, two metastable NaMnO$_2$ polymorphs, $I4_1/amd$ and Cmcm, are identified as promising cathode materials for sodium-ion batteries. Both phases exhibit…

材料科学 · 物理学 2025-06-24 Fukuan Wang , Chen Zhou , Busheng Wang , Yong Liu

The physio-chemical properties of Nafion 115 and a composite Nafion 115/Zirconium Phosphate (25wt%) membranes are compared. The composite membrane takes up more water than Nafion at the same water activity. However, the proton conductivity…

化学物理 · 物理学 2007-05-23 Chris Yang , S. Srinivasan , A. B. Bocarsly , S. Tulyani , J. B. Benziger

The recent discovery of superconductivity with relatively high transition temperature Tc in the layered iron-based quaternary oxypnictides La[ O1-xFx] FeAs was a real surprise. The excitement generated can be seen by the number of…

An oxygen hyperstoichiometric ferrite CaBaFe4O7+\delta (\delta \approx 0.14) has been synthesized using "soft" reduction of CaBaFe4O8. Like the oxygen stoichiometric ferrimagnet CaBaFe4O7, this oxide also keeps the hexagonal symmetry (space…

强关联电子 · 物理学 2011-03-16 Tapati Sarkar , V. Duffort , V. Pralong , V. Caignaert , B. Raveau

A Devanathan-Stachurski type diffusion cell made from a fuel cell assembly is designed to evaluate the gas transport properties of a proton exchange membrane as a function of cell temperature and gas pressure. Data obtained on this cell…

材料科学 · 物理学 2011-08-12 Vijay A. Sethuraman , Saahir Khan , Jesse S. Jur , Andrew T. Haug , John W. Weidner

The crystal structure of CO2 filled pure SiO2 LTA zeolite has been studied at high pressures and temperatures using synchrotron based x ray powder diffraction. Its structure consists of 13 CO2 guest molecules, 12 of them accommodated in the…

Dissociation of CO$_2$ on copper surfaces, a model system for understanding the elementary steps in catalytic conversion of CO$_2$ to methanol has been extensively studied in the past. It is thought to be reasonably well-understood from…

化学物理 · 物理学 2024-01-30 Saurabh Kumar Singh , Pranav R. Shirhatti

BaCe$_{0.25}$Mn$_{0.75}$O$_{3-\delta}$ (BCM), a non-stoichiometric oxide closely resembling a perovskite crystal structure, has recently emerged as a prospective contender for application in renewable energy harvesting by solar…

Ion conducting $(CaO)_x(SiO_2)_{1-x}$ glasses and melts show a threshold behaviour in dc conductivity near $x=x_t=0.50$, with conductivities increasing linearly at $x>x_t$. We show that the behaviour can be traced to a rigid ($x<0.50$) to…

材料科学 · 物理学 2009-11-10 M. Malki , M. Micoulaut , F. Chaimbault , Y. Vaills , P. Simon

Oxygen is in many ways a unique element: the only known diatomic molecular magnet and the capability of stabilization of the hitherto unexpected O8 cluster structure in its solid form at high pressure. Molecular dissociations upon…

材料科学 · 物理学 2012-01-10 Li Zhu , Ziwei Wang , Yanchao Wang , Yanming Ma , Guangtian Zou , Ho-kwang Mao

A series of recyclable epoxy resin (REP) composites are successfully prepared in this study, aiming to improve flame retardancy while keep good recyclability and mechanical properties. The commercial…

应用物理 · 物理学 2021-05-06 Xiaolu Li , Jing Zhang , Lu Zhang , Alaitz Ruiz de Luzuriaga , Alaitz Rekondo , De-Yi Wang