@article{4e16f5b3-fc66-43fa-9c4b-227699802e6f,
  abstract     = {{<p>We find that CO ligates selectively to nitrogen tetra-coordinated Co(i) single metal atom sites at room temperature in a manganese–cobalt bi-metallic coordination network self-assembled on graphene. The bound state is metastable, determined by pressure-dependent equilibrium conditions between adsorption and desorption, with an upright, end-on bonding geometry (binding energy 0.73 eV). The ligand vibrational hot-band can be populated due to the weak coupling with the substrate. The CO uptake/saturation curve is modeled using Temkin and Hill isotherms, unveiling network-mediated anti-cooperative adsorption. While contributions from direct dipole–dipole interactions and Förster energy transfer are ruled out, the observed anti-cooperativity originates from network-mediated electronic and magnetic effects. Our findings provide direct insight into ligand dynamics at single metal atom sites in 2D materials and suggest tunable reactivity properties of a 2D biomimetic functional material through its tailored design.</p>}},
  author       = {{De Col, Michela and Comini, Danilo and Baronio, Stefania and Roondhe, Basant and Namar, Alessandro and Bidoggia, Davide and Scardamaglia, Mattia and Giannozzi, Paolo and Vesselli, Erik}},
  issn         = {{2050-7488}},
  language     = {{eng}},
  publisher    = {{Royal Society of Chemistry}},
  series       = {{Journal of Materials Chemistry A}},
  title        = {{Carbon monoxide ligation at single metal atom sites in a 2D manganese-cobalt coordination network : equilibrium at room temperature}},
  url          = {{http://dx.doi.org/10.1039/d5ta10405j}},
  doi          = {{10.1039/d5ta10405j}},
  year         = {{2026}},
}