The;
Institute;
of;
Scientific;
and;
Industrial;
Research;
(ISIR),;
Osaka;
University;
Research;
Institute;
for;
Computational;
Sciences;
(RICS),;
National;
Institute;
of;
Advanced;
Industrial;
Science;
and;
Technology;
(AIST);
Institute;
of;
Materials;
Science,;
University;
of;
Tsukuba;
formate; metal; DFT-GGA; slab; model; adsorption; energy; d-band; center;