Exploring the stability and reactivity of Ni2P and Mo2C catalysts using ab initio atomistic thermodynamics and conceptual DFT approaches
Sign Up to like & getrecommendations! Published in 2017 at "Biomass Conversion and Biorefinery"
DOI: 10.1007/s13399-017-0278-2
Abstract: The stability and reactivity of Mo2C and Ni2P surfaces with different terminations are systematically investigated by means of ab initio atomistic thermodynamics and conceptual DFT approaches as a function of the chemical potential (μ). Five… read more here.
Keywords: thermodynamics; stability reactivity; initio atomistic; mo2c ... See more keywords
Oxidation States, Stability, and Reactivity of Organoferrate Complexes.
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DOI: 10.1021/jacs.8b06001
Abstract: We have applied a combination of electrospray-ionization mass spectrometry, electrical conductivity measurements, and Mössbauer spectroscopy to identify and characterize the organoferrate species R nFe m- formed upon the transmetalation of iron precursors (Fe(acac)3, FeCl3, FeCl2,… read more here.
Keywords: states stability; stability reactivity; organoferrate; oxidation states ... See more keywords
Uniting Form and Function, Stability and Reactivity in Open Framework Materials
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DOI: 10.1246/cl.200712
Abstract: Functions and performance metrics are much sought after by materials researchers and editors; not to be sidelined, however, are fundamental design works directed at general methodological breakthro... read more here.
Keywords: function stability; open framework; stability reactivity; form function ... See more keywords