First-Principles Studies of Hydrogen Adsorption at Pd-SiO2 Interfaces
The interaction of hydrogen with Pd-SiO2 interfaces has been investigated for the first time using first-principles calculations based on density functional theory. The hydrogen-induced polarization at the Pd-SiO2 interfaces was evaluated using Pd-SiO2 interface supercells. As a result, the potentia...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2015-06-01
|
| Series: | Sensors |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1424-8220/15/6/14757 |