Computational investigation of functionalized carbenes on dinitrogen activation
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27046
Abstract: Activation of the dinitrogen triple bond is a crucial step in the overall fixation of atmospheric nitrogen into usable forms for industrial and biological applications. Current synthetic catalysts incorporate metal ions to facilitate the activation… read more here.
Keywords: computational investigation; investigation functionalized; functionalized carbenes; dinitrogen activation ... See more keywords
Theoretical Mechanistic Insights into Dinitrogen Activation by a Diniobium Tetrahydride: Two-State Reactivity and the Role of Potassium Cation Promoter.
Sign Up to like & getrecommendations! Published in 2020 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.9b03733
Abstract: A "two-state reactivity" scenario has been computationally disclosed for dinitrogen activation by a diniobium tetrahydride. Remarkably, it is revealed that alkali metal cations play a crucial role via alkali···N coordination interaction, which is capable of… read more here.
Keywords: dinitrogen activation; activation diniobium; diniobium tetrahydride; activation ... See more keywords
Designing mixed-metal electrocatalyst systems for photoelectrochemical dinitrogen activation.
Sign Up to like & getrecommendations! Published in 2023 at "Faraday discussions"
DOI: 10.1039/d2fd00157h
Abstract: Efficient artificial photosynthesis systems are currently realized as catalyst- and surface-functionalized photovoltaic tandem-and triple-junction devices, enabling photoelectrochemical (PEC) water oxidation while simultaneously recycling CO2 and generating hydrogen as a solar fuel for storable renewable energy.… read more here.
Keywords: dinitrogen activation; electrocatalyst; metal electrocatalyst; mixed metal ... See more keywords