Integrated operando X-ray absorption and DFT characterization of Cu-SSZ-13 exchange sites during the selective catalytic reduction of NO x with NH 3

Catalysis Today

Volumn 184, Issue 1, 2012, Pages 129-144

  McEwen, J S ^a   Anggara, T ^a   Schneider, W F ^a,d   Kispersky, V F ^b   Miller, J T ^c   Delgass, W N ^b   Ribeiro, F H ^b  

^a University of Notre Dame   (United States)

^b PURDUE UNIVERSITY   (United States)

^c ARGONNE NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

Copper; Density functional theory; EXAFS; Operando; Phase diagram; SCR; SSZ 13; XANES; Zeolite

Indexed keywords

COORDINATION ENVIRONMENT; CU IONS; DENSITY FUNCTIONAL THEORIES (DFT); EXAFS; FIRST-PRINCIPLES; OPERANDO; OXIDATION STATE; PERIODIC DFT CALCULATION; REDOX CHEMISTRY; RELATIVE STABILITIES; SELECTIVE CATALYTIC REDUCTION OF NO; SELECTIVE CATALYTIC REDUCTIONS (SCR); SSZ-13; STANDARD CONDITIONS; THERMODYNAMICS MODEL; WATER LIGANDS; XANES;

CALCULATIONS; COPPER; DENSITY FUNCTIONAL THEORY; NITROGEN OXIDES; PHASE DIAGRAMS; SELECTIVE CATALYTIC REDUCTION; THERMODYNAMICS; THYRISTORS; X RAY ABSORPTION SPECTROSCOPY; ZEOLITES;

OXIDATION;

EID: 84860227760     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2011.11.037     Document Type: Conference Paper

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