DFT modelling of explicit solid–solid interfaces in batteries: methods and challenges
2020 ◽
Vol 22
(19)
◽
pp. 10412-10425
◽
Keyword(s):
Density Functional Theory (DFT) calculations of electrode material properties in high energy density storage devices like lithium batteries have been standard practice for decades.
2011 ◽
2006 ◽
Keyword(s):
2014 ◽
Vol 118
(41)
◽
pp. 23487-23498
◽
2006 ◽