Periodic DFT Study on Mechanism of NO-SCR Via NH3 and O2 over the V2O5 (001) Surface

Chen, Yu

Wednesday, June 17, 2015

Ballroom B (Lawrence Convention Center)

Yu Chen, China University of Petroleum, China.

At the periodic DFT level, we carried out theoretical study on the NO-SCR reaction via NH₃ over V₂O₅ and proposed a four-step mechanism including different competing Lewis and B-acid centers (V and V-OH), which can provide us a deeper understanding of the SCR reaction over V₂O₅ surface.

Extended Abstracts:

NACS Abstract - Yu Chen at CUP, China.pdf (46.7KB) - Extended Abstract

P-W-B-209 Periodic DFT Study on Mechanism of NO-SCR Via NH3 and O2 over the V2O5 (001) Surface