نتایج جستجو برای: atomic structure

تعداد نتایج: 1638633  

Journal: :Nano letters 2009
K Andre Mkhoyan Alexander W Contryman John Silcox Derek A Stewart Goki Eda Cecilia Mattevi Steve Miller Manish Chhowalla

We elucidate the atomic and electronic structure of graphene oxide (GO) using annular dark field imaging of single and multilayer sheets and electron energy loss spectroscopy for measuring the fine structure of C and O K-edges in a scanning transmission electron microscope. Partial density of states and electronic plasma excitations are also measured for these GO sheets showing unusual pi* + si...

2017
Jigar Desai Mitesh B. Panchal

The use of composite materials increases due to its exceptionally better mechanical properties compared to their individual constitutes. The use of Nano materials as one of the constitutes of composite materials adds the advantages specially of high dynamic behavior due to their dimensions of nano scale. The carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs) possess excellent mechanica...

Journal: :Acta Crystallographica Section A Foundations and Advances 2015

Journal: :journal of nanostructures 2015
a. khajesarvi g. h. akbari

in the present study, nanocrystalline ni50al50-xmox (x = 0, 0.5, 1, 2.5, 5) intermetallic compound was produced through mechanical alloying of nickel, aluminum, and molybdenum powders. alni compounds with good and attractive properties such as high melting point, high strength to weight ratio and high corrosion resistance especially at high temperatures have attracted the attention of many rese...

2015
N. D. Drummond Bartomeu Monserrat Jonathan H. Lloyd-Williams P. López Ríos Chris J. Pickard R. J. Needs

Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical physics. Experiment alone cannot establish the atomic structure of solid hydrogen at high pressure, because hydrogen scatters X-rays only weakly. Instead, our understanding of the atomic structure is largely based on density functional theory (DFT). By comparing Raman spectra for low-energy structur...

Journal: :Nature communications 2014
Shigeki Kawai Adam S Foster Filippo Federici Canova Hiroshi Onodera Shin-ichi Kitamura Ernst Meyer

Atomic manipulation enables us to fabricate a unique structure at the atomic scale. So far, many atomic manipulations have been reported on conductive surfaces, mainly at low temperature with scanning tunnelling microscopy, but atomic manipulation on an insulator at room temperature is still a long-standing challenge. Here we present a systematic atomic manipulation on an insulating surface by ...

2009
Han Hsu Koichiro Umemoto Matteo Cococcioni Renata Wentzcovitch

In this paper, we use the local density approximation+Hubbard U method to calculate the structural and electronic properties of low-spin LaCoO3. The Hubbard U is obtained by first principles and consistent with each fully optimized atomic structure at different pressures. With structurally consistent U, the fully optimized atomic structure agrees with experimental data better than the calculati...

2017
Ralph Skomski

The applicability of Nkel's pair model to metallic 3d surfaces and interfaces is explained in terms of the tight-binding momentstheorem. The Nee1 model reproduces itinerant magnetism so long as the band structure is approximated by third-moment atomic-pair contributions. This establishes an atomic NCel description of interfaces and impurities. The NCel parameter g depends on the d-band filling ...

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