Unravelling the Reaction Mechanisms of N2 Fixation on Molybdenum Nitride: A Full DFT Study from the Pristine Surface to Heteroatom Anchoring Article

Kong, Youchao, He, Tianwei, Puente Santiago, Alain R et al. (2021). Unravelling the Reaction Mechanisms of N2 Fixation on Molybdenum Nitride: A Full DFT Study from the Pristine Surface to Heteroatom Anchoring . CHEMSUSCHEM, 14(16), 3257-3266. 10.1002/cssc.202101014

International Collaboration

cited authors

  • Kong, Youchao; He, Tianwei; Puente Santiago, Alain R; Liu, Dong; Du, Aijun; Wang, Shuangpeng; Pan, Hui

sustainable development goals

authors

publication date

  • August 23, 2021

published in

keywords

  • AMMONIA-SYNTHESIS
  • CARBON
  • Chemistry
  • Chemistry, Multidisciplinary
  • ELECTROCATALYST
  • Green & Sustainable Science & Technology
  • NITROGEN REDUCTION
  • Physical Sciences
  • Science & Technology
  • Science & Technology - Other Topics
  • density functional theory
  • electrocatalysis
  • electrochemical nitrogen reduction
  • nitrogen fixation
  • transition metal nitrides

Digital Object Identifier (DOI)

publisher

  • WILEY-V C H VERLAG GMBH

start page

  • 3257

end page

  • 3266

volume

  • 14

issue

  • 16