Chemisorption of gas atoms on 1D transition-metal halides

Found 72 rows out of 72, showing rows 1-25

Formula	X	Y	XY3 formula units	Adsorbate	Workfunction [V]	Coverage	Adsorption energy [eV]
Ti₂Br₆	Ti	Br	2		5.104
HTi₂Br₆	Ti	Br	2	H	5.912	0.500	1.105
HTi₄Br₁₂	Ti	Br	4	H	5.438	0.250	0.876
H₂Ti₂Br₆	Ti	Br	2	H	6.025	1.000	1.097
HTi₈Br₂₄	Ti	Br	8	H	5.276	0.125	0.726
OTi₂Br₆	Ti	Br	2	O	6.213	0.500	-0.592
OTi₄Br₁₂	Ti	Br	4	O	5.466	0.250	-0.739
O₂Ti₂Br₆	Ti	Br	2	O	6.579	1.000	0.164
Ti₂Cl₆	Ti	Cl	2		5.279
HTi₂Cl₆	Ti	Cl	2	H	6.237	0.500	1.357
HTi₄Cl₁₂	Ti	Cl	4	H	5.723	0.250	1.063
H₂Ti₂Cl₆	Ti	Cl	2	H	6.052	1.000	2.145
HTi₈Cl₂₄	Ti	Cl	8	H	5.449	0.125	0.985
OTi₂Cl₆	Ti	Cl	2	O	7.202	0.500	0.225
OTi₄Cl₁₂	Ti	Cl	4	O	5.861	0.250	-0.280
O₂Ti₂Cl₆	Ti	Cl	2	O	6.525	1.000	0.995
Zr₂Br₆	Zr	Br	2		4.207
HZr₂Br₆	Zr	Br	2	H	5.534	0.500	0.473
HZr₄Br₁₂	Zr	Br	4	H	4.930	0.250	0.138
H₂Zr₂Br₆	Zr	Br	2	H	5.878	1.000	0.658
HZr₈Br₂₄	Zr	Br	8	H	4.558	0.125	0.008
OZr₂Br₆	Zr	Br	2	O	5.539	0.500	-1.798
OZr₄Br₁₂	Zr	Br	4	O	4.829	0.250	-2.009
O₂Zr₂Br₆	Zr	Br	2	O	6.086	1.000	0.160
Zr₂Cl₆	Zr	Cl	2		4.235