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Removal of toxic species such as As, Se, and S is critical to the successful implementation of high efficiency Integrated Gasification Combined Cycle (IGCC) processes for coal utilization. In this work we study the initial low-coverage surface reactions of AsH 3 , H 2 Se and H 2 S with a regenerable sorbent, zinc orthotitanate (Zn 2 TiO 4 ), using first principles...
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