Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method
Keyword(s):
Compared with the conventional DFT approach, SCC-DFTB method is more effective to deal with the adsorption issues of large size organic corrosion inhibitors on metal surface.
2001 ◽
Vol 40
(22)
◽
pp. 4771-4777
◽
Keyword(s):
2007 ◽
pp. 203-210
◽