(764f) Promoted MoS2 Edge Atoms for Highly Efficient CO2 Conversion to Syngas
AIChE Annual Meeting
2017
2017 Annual Meeting
Catalysis and Reaction Engineering Division
Rational Catalyst Design III: Metal Oxide and Compound Catalysis
Thursday, November 2, 2017 - 4:30pm to 4:45pm
For this purpose, Niobium (Nb) and Tantalum (Ta) doped MoS2 samples were synthesized using chemical vapor deposition (CVD) method with different concentrations of dopants, and the electro catalytic performance of doped samples were compared with pristine MoS2 for CO2 reduction. Different experimental methods such as in-situ differential electrochemical mass spectrometry (DEMS), scanning transmission electron microscopy (STEM), X-ray photoelectron spectroscopy (XPS) as well as Density functional theory (DFT) were utilized to fully study the role of doping on the electrocatalytic performance of MoS2. Our results indicate a volcano trend for electrocatalytic performance of Nb doped MoS2 samples in which Mo0.95Nb0.05S2 sample shows one order of magnitude higher CO formation turnover frequency (TOF) compared to pristine MoS2, however higher concentrations of Nb doping show negative effect on the catalytic activity of MoS2. The results also show negative effect of doping in Ta doped MoS2 samples for all concentrations of dopant. Our DFT results show that introducing optimum concentrations of proper dopants near the edge structure would lead to a Sabatier effect by decreasing the binding strength between the Mo edge and CO, giving rise to the CO formation TOF. However, this is not the case for Nb doping with higher concentrations or Ta doping in which higher work function of doped structures lead to poorer electron transfer properties.
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