Novel core-shell structured Li[[([Ni.sub.0.8][Co.sub.0.2]).sub.0.8]]([[Ni.sub.0.5][Mn.sub.0.5]).sub.0.2]]O2 via coprecipitation as positive electrode material for lithium secondary batteries
Article Abstract:
A spherical core-shell structure based on Li[[([Ni.sub.0.8][Co.sub.0.2]).sub.0.8]([[Ni.sub.0.5][Mn.sub.0.5]).sub.0.2]]O2 was synthesized through a coprecipitation route and examined by different methods. A high capacity was delivered from the Li[([Ni.sub.0.8][Co.sub.0.2]]O2 core, while the high thermal stability was originated from Li[[([Ni.sub.0.5][Mn.sub.0.5]O2 shell and the thermal stability of the fully charged Li[[([Ni.sub.0.8][Co.sub.0.2]).sub.0.8]([[Ni.sub.0.5][Mn.sub.0.5]).sub.0.2]]O2 was markedly improved.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Ionic conductivity of Li2B4O7
Article Abstract:
The formation and mobility of Li point defects in Li2B4O7 are investigated theoretically with periodic quantum chemical calculations. It is seen that [Li.sup.+] ion migrates through a one-dimensional channel formed by the five-vertex lithium-oxygen (LiO5) polyhedra and local relaxation has a much larger impact on the calculated activation energy for Li migration than for the formation of the Li vacancy defect itself.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Ab initio embedded cluster study of F and M centers in LiF
Article Abstract:
The electronic structure and excitation energies of an M center in LiF crystals are studied employing ab initio computations using an embedded cluster method. The advantages and limitations of the presented computational approach are discussed.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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