TY  - JOUR
AU  - Sarma, Bidyut Bikash
AU  - Maurer, Florian
AU  - Doronkin, Dmitry E.
AU  - Grunwaldt, Jan-Dierk
TI  - Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools
JO  - Chemical reviews
VL  - 123
IS  - 1
SN  - 0009-2665
CY  - Washington, DC
PB  - ACS Publ.
M1  - PUBDB-2022-07813
SP  - 379 – 444
PY  - 2022
AB  - The potential of operando X-ray techniques for following the structure, fate, and active site of single-atom catalysts (SACs) is highlighted with emphasis on a synergetic approach of both topics. X-ray absorption spectroscopy (XAS) and related X-ray techniques have become fascinating tools to characterize solids and they can be applied to almost all the transition metals deriving information about the symmetry, oxidation state, local coordination, and many more structural and electronic properties. SACs, a newly coined concept, recently gained much attention in the field of heterogeneous catalysis. In this way, one can achieve a minimum use of the metal, theoretically highest efficiency, and the design of only one active site-so-called single site catalysts. While single sites are not easy to characterize especially under operating conditions, XAS as local probe together with complementary methods (infrared spectroscopy, electron microscopy) is ideal in this research area to prove the structure of these sites and the dynamic changes during reaction. In this review, starting from their fundamentals, various techniques related to conventional XAS and X-ray photon in/out techniques applied to single sites are discussed with detailed mechanistic and in situ/operando studies. We systematically summarize the design strategies of SACs and outline their exploration with XAS supported by density functional theory (DFT) calculations and recent machine learning tools.
LB  - PUB:(DE-HGF)36 ; PUB:(DE-HGF)16
C6  - pmid:36418229
UR  - <Go to ISI:>//WOS:000891289200001
DO  - DOI:10.1021/acs.chemrev.2c00495
UR  - https://bib-pubdb1.desy.de/record/490514
ER  -