Theoretical study of activation of
O
2
at cathode and
CH
3
OH
at anode of “
CH
3
OH
‐
O
2
” fuel cell using
ZnC
4
H
4
and
CuC
4
H
4
organometallic catalysts “a
DFT
study”
A theoretical study on the effect of Li on the electronic properties of porous Si; these properties change drastically if the Li is superficial or interstitial.
Theoretical study of the catalytic effect of TM-C4H4 and TM-C5H5 (TM = Cr, Ti, V, Sc) on the activation of O2 at the cathode and CH3OH at the anode in “CH3OH-O2” fuel cell via DFT computational method
