List of Symbols and Abbreviations Used
2θ
Scattering angle
2θ k
Scattering angle for the center of the k-th X-ray diffraction peak
α, β,γ
Angles defined in the Li-Mn-Ni-O Gibbs triangle
β k
Integral breadth of the k-th X-ray diffraction peak
β T
Constant used to set the temperature scale in Monte Carlo simulations
δ
Ratio of an atom’s charge to its oxidation state, used in Monte Carlo
simulations
ε 0
Permittivity of free space
η
Lorentzian component in the pseudo-Voigt function
λ
Wavelength
σ
Standard deviation
μ
Linear X-ray absorption coefficient
√
2 Root-mean square micro-strain
AA
Atomic absorption spectroscopy
C
Lorentzian, or Cauchy, function
D
Particle diameter
F k
Sample scattering X-ray diffraction intensity for the k-th peak
FWHM
Full width at half maximum
G
Gaussian function
H k
FWHM of k-th X-ray diffraction peak
ICP
Inductively coupled plasma optical emission spectroscopy
I k
Calculated X-ray diffraction intensity for the k-th peak
I
o
k
Integrated peak intensity for the k-th X-ray diffraction peak
IRC
Irreversible capacity
k B
Boltzmann constant
L
Average crystallite size
M
XRD machine peak broadening function
JCPDS
Joint Committee on Powder Diffraction Standards
n i
Oxidation state of i-th atom in Monte Carlo simulations
Ni Li
Fraction of sites on the lithium layers occupied by nickel
NN
Nearest neighbor
SEM
Scanning electron microscopy
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