Table 2 Calculated adsorption energy of WO42− ion on ZnO \(({10\bar 10} )\) plane, (0001) plane, and \(( {10\bar 11} )\) plane in vacuum and water conditions.
From: Face-selective tungstate ions drive zinc oxide nanowire growth direction and dopant incorporation
Crystal planes | \(( {10\bar 10} )\) | Zn-terminated (0001) | Zn-terminated \(({10\bar 11} )\) | O-terminated (0001), \(( {10\bar 11})\) |
|---|---|---|---|---|
Adsorption energy (kcal/mol) in vacuum | 36.6 | 121.3 | 73.1 | Not adsorbed |
Adsorption energy (kcal/mol) in water | 13.9 | 20.4 | −29.8 | – |
