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The results of XPS measurements (core levels and valence bands) of P+, Ca+, P+Ca+ and Ca+P+ ion implanted (E=30 keV, D=1x1017 cm-2) commercially pure titanium (cp-Ti) and first-principles density functional theory (DFT) calculations…

Hydrogenated diamond has been regarded as a promising material in electronic device applications, especially in field-effect transistors (FETs). However, the quality of diamond hydrogenation has not yet been established, nor has the…

We show that the HF acid etch commonly used to prepare SrTiO3(001) for heteroepitaxial growth of complex oxides results in a non-negligible level of F doping within the terminal surface layer of TiO2. Using a combination of x-ray…

Materials Science · Physics 2015-05-30 Scott A. Chambers , Timothy C. Droubay , Cigdem Capan , Guangyuan Sun

Atomic-scale investigations of metal oxide surfaces exposed to aqueous environments are vital to understand degradation phenomena (e.g. dissolution and corrosion) as well as the performance of these materials in applications. Here, we…

A density functional theory study of the structural and electronic properties and relative stability of fluorinated sp3 silicon nanotubes and their corresponding silicon nanowires built along various crystallographic orientations is…

Materials Science · Physics 2013-08-07 Alon Hever , Jonathan Bernstein , Oded Hod

Reanalysis of data (Bruice and York 1961) for the pH dependences of the calculated apparent second-order rate constants (k2) for the reaction of tris-(hydroxymethyl)-aminomethane (TRIS) with phenyl esters reveals that the pH profiles are…

Chemical Physics · Physics 2015-12-09 Per Nissen

We investigated the effect of fluorine-terminated diamond surface on the charged state of shallow nitrogen vacancy defect centers (NVs). Fluorination is achieved with CF4 plasma and the surface chemistry is confirmed with x-ray…

Materials Science · Physics 2013-04-05 Shanying Cui , Evelyn L. Hu

Development of new high-entropy oxides having configurational entropy dominating the phase stability has become a hot topic since the discovery of rock salt structure entropy-stabilized (ES)(MgCoNiCuZn)O in 2015. Herein, we report a set of…

Materials Science · Physics 2025-07-01 Ashutosh Kumar , David Bérardan , Francois Brisset , Diana Dragoe , Nita Dragoe

High-entropy alloys are characterized by high configurational entropy. Since the discovery of high-entropy alloys (HEA) in 2004, entropy engineering has provided a promising direction for exploiting composition, lattice disorder, band…

Materials Science · Physics 2019-11-12 S. Joseph Poon , Jian He

FePd thin films have been recently considered as promising material for high-density magnetic storage devices. However, it is necessary to find a proper method of fabrication for the (001)-textured and chemically well-ordered alloy. In this…

High entropy alloys (HEA) show promise as a new type of high-performance structural material. Their vast degrees of freedom provide for extensive opportunities to design alloys with tailored properties. However, the compositional…

Disordered Systems and Neural Networks · Physics 2019-04-19 Qi Jie , Andrew Cheung , S. Joseph Poon

Using large-scale molecular dynamics simulations, we investigate the surface properties of lithium, sodium, and potassium silicate glasses containing 25 mole % of alkali oxide. The comparison of two types of surfaces, a melt-formed surface…

Disordered Systems and Neural Networks · Physics 2023-07-12 Zhen Zhang , Simona Ispas , Walter Kob

Barrium fluoride (BaF2) thin films were prepared by electron beam evaporation technique at room temperature, on glass, Silicon and Aluminum substrates having thickness of 20 nm each. Its structural property and surface morphology were…

Materials Science · Physics 2017-05-22 Kavyashree , R. K. Pandey , R. P. Yadav , Manvendra Kumar , A. K. Mittal , A. C. Pandey , S. N. Pandey

High-quality epitaxial ferrites, such as low-damping MgAl-ferrite (MAFO), are promising nanoscale building blocks for all-oxide heterostructures driven by pure spin current. However, the impact of oxide interfaces on spin dynamics in such…

Semipermeable silica membranes are attractive as protective coatings for metal electrocatalysts such as platinum but their impact on the catalytic properties has not been fully understood. Here, we develop a first principles formalism to…

Materials Science · Physics 2020-10-27 Jianzhou Qu , Alexander Urban

Two dimensional pi conjugated metal porphyrin covalent organic frameworks were produced in aqueous solution on an iodine-modified Au(111) surface by on site azomethine coupling of Fe(III) 5,10,15,20 tetrakis(4 aminophenyl)porphyrin (FeTAPP)…

Hydroxyapatite (HAp) is the primary mineral component of various mineralized tissues in the human body, including bone and teeth, where it performs critical roles of structural support and load transmission. In the context of dental health,…

We have performed an extensive Voigt profile analysis of the neutral hydrogen (HI) and metal absorption present in a sample of 18 high resolution, high signal-to-noise QSO spectra observed with VLT/UVES. We use this analysis to separate the…

Astrophysics · Physics 2009-11-13 T. -S. Kim , J. S. Bolton , M. Viel , M. G. Haehnelt , R. F. Carswell

It is proposed in this study to observe the influence of P2O5 on the formation of the apatite-like layer in a bioactive glass via a complete PIXE characterization. A glass in the SiO2-CaO-P2O5 ternary system was elaborated by sol-gel…

Materials Science · Physics 2009-11-11 J. Lao , J. M. Nedelec , P. Moretto , E. Jallot

Alkali doped aromatic compounds have shown evidence of metallic and superconducting phases whose precise nature is still mysterious. In potassium and rubidium doped phenanthrene, superconducting temperatures around 5 K have been detected,…

Materials Science · Physics 2014-08-28 S. Shahab Naghavi , Erio Tosatti