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Precision investigation of modern crystalline materials by neutron diffraction method Ludmila malov & Alexandru Cr ciun under supervision of Ivan Bobrikov matterials neutron diffraction method neutrons as waves =h/mv

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Precision investigation of modern crystalline materials by neutron diffraction method

Ludmila Šámalová & Alexandru Crǎciun under supervision of Ivan Bobrikov

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matterials

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neutron diffraction method

neutrons as waves λ=h/mv
interference
neutron diffraction vs. X-ray
nucleons vs. electrons
different izotops:
different cross section
different energy loose

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pulse reactor neutron source

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HRFD

1 – Moderator 2 – Fourier Chopper 3 – Guide Tube 4 – Main Detector 5 – Sample Position 6 – 90 -Detector 7 – PSD Detector 8 – VME Control and Operative Visualization/Analysis 9 – VME Station (OS/9) Data Acquisition 10 – EtherNet Data Transfer

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Time of Flight

velocity:
energy:
resolution of time of flight diffractometer:
neutron beam intensity

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diffraction pattern

peak position – type of atom
peak intensity – location

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conditions and tasks

experience with neutron diffraction

experiments

technics and principles
refinement real diffraction patterns
instrumental standart samples – Al2O3, LaB6
modern functional material – LiNi0,5Mn1,5O4

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Standard samples

Al2O3 , LaB6
FullProf

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LiNi0.5Mn1.5O4 the investigated material

Cathode in Li-Ion batteries
Space group Fd3m
Mg doping
LiMg0.05Ni0.45Mn1.5O4
a=8.1803 Å
Ni:Mg = 0.342:0.079

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impurity

NiO
Space group R3m
a = 2.941349 Å
b = 2.941349 Å
c = 7.174259 Å

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Summary

experience with neutron diffraction

experiments

technics and principles
refinement real diffraction patterns
instrumental standart samples – Al2O3, LaB6
modern functional material – LiNi0,5Mn1,5O4

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references

http://chemistry.about.com/od/metalsalloys/ig/Metal-Crystals-Photo-

Gallery/Niobium-Crystals.-drr.htm

http://flnp.jinr.ru/136/
http://flnp.jinr.ru/393/
Liu Guoqiang (2012). LiNi0.5Mn1.5O4 Spinel and Its Derivatives as

Cathodes for Li-Ion Batteries, Lithium Ion Batteries - New Developments,

Dr. Ilias Belharouak (Ed.), ISBN: 978-953-51-0077-5, InTech, Available from:

http://www.intechopen.com/books/lithium-ion-batteries-new- developments/spinel-lini0-5mn1-5o4-and-itsderivatives-as-cathodes-for- li-ion-batteries

http://www.dragon.lv/exafs/akuzmin/papers/ak147.pdf