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Inside Back Cover: Boron Nitride‐supported Sub‐nanometer Pd 6 Clusters for Formic Acid Decomposition: A DFT Study (ChemCatChem 9/2017)
Author(s) -
Schimmenti Roberto,
Cortese Remedios,
Duca Dario,
Mavrikakis Manos
Publication year - 2017
Publication title -
chemcatchem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201700619
Subject(s) - formic acid , formate , boron nitride , cluster (spacecraft) , decomposition , chemistry , nanometre , hydrogen , materials science , cover (algebra) , inorganic chemistry , crystallography , nanotechnology , catalysis , organic chemistry , computer science , composite material , programming language , mechanical engineering , engineering
The Cover shows a hexagonal boron nitride‐supported sub‐nanometer Pd 6 cluster for the selective conversion of formic acid to hydrogen.In their Full Paper, R. Schimmenti et al. demonstrate through a computational DFT analysis that sub‐nanometer sized Pd clusters may be the key for the production of CO‐free hydrogen from formic acid. Results suggest that formic acid decomposition should follow a formate (HCOO − )‐mediated mechanism. Production of carboxyl (COOH), the CO precursor, is energetically unfavorable. The high degree of stabilization of HCOO − with respect to COOH can be correlated with the undercoordination of the Pd cluster atoms. More information can be found in the Full Paper by R. Schimmenti et al. on page 1610 in Issue 9, 2017 (DOI: 10.1002/cctc.201700248).