Publication Type
Journal
Journal Name
Physical Review B
Publication Date
Page Number
205202
Volume
85
Abstract
Infrared absorption experiments along with a mass-and-spring model and detailed quantum-mechanical calculations using CRYSTAL06 are used to assign structures of trapped H in SnO2. We conclude that the evidence for H trapped at a Sn vacancy is weak at best, and that along with isolated interstitial H and H trapped at an O vacancy, there is evidence that one or two H atoms can be trapped at a Sn interstitial.