Research Article
Gas Sensing Properties and Mechanism of Nano-SnO2-Based Sensor for Hydrogen and Carbon Monoxide
Table 1
Displacement of surface atoms along the (110) direction.
| | O2c | O3c | Sn5c | Sn6c |
| DFT (GGA-RPBE) | 0.04 | 0.16 | −0.10 | 0.18 | DFT (GGA-PBE) [32] | 0.03 | 0.135 | −0.092 | 0.15 | DFT (GGA-PBE) [26] | 0.09 | 0.18 | −0.11 | 0.22 | DFT (B3LYP) [23] | 0.02 | 0.14 | −0.12 | 0.26 |
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