TY - JOUR
T1 - A density functional theory study on the origin of lithium- montmorillonite's conductivity at low water content
T2 - A first investigation
AU - Wungu, Triati Dewi Kencana
AU - Rusydi, Febdian
AU - Kresno Dipojono, Hermawan
AU - Kasai, Hideaki
PY - 2012/10
Y1 - 2012/10
N2 - The nature of electric charge carriers of Lithium-montmorillonite at low water content has been investigated using density functional theory (DFT) calculation. Results show that in the presence of H 2O molecule, the Li easily migrates from the MMT surface to a distance above the surface with the barrier for Li migration of 0.09 eV. We found the possibility of Li as charge carrier in the H 2O/Li-montmorillonite.
AB - The nature of electric charge carriers of Lithium-montmorillonite at low water content has been investigated using density functional theory (DFT) calculation. Results show that in the presence of H 2O molecule, the Li easily migrates from the MMT surface to a distance above the surface with the barrier for Li migration of 0.09 eV. We found the possibility of Li as charge carrier in the H 2O/Li-montmorillonite.
KW - A. Lithium-montmorillonite
KW - D. Conducting cation
KW - D. Conducting proton
UR - http://www.scopus.com/inward/record.url?scp=84865326272&partnerID=8YFLogxK
U2 - 10.1016/j.ssc.2012.06.020
DO - 10.1016/j.ssc.2012.06.020
M3 - Article
AN - SCOPUS:84865326272
SN - 0038-1098
VL - 152
SP - 1862
EP - 1866
JO - Solid State Communications
JF - Solid State Communications
IS - 19
ER -