A holistic analysis of adsorption energies, charge transfer, and structural changes has been employed to highlight the variations in adsorption mechanisms upon changing the surface type and the adsorption site.

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Electrospun nanofibrous materials serve as potential solutions for several biomedical applications as they possess the ability of mimicking the extracellular matrix (ECM) of tissues.

A comprehensive analysis of low coverage CO adsorption on Ni and Cu low-index miller surfaces – (100), (110), and (111) – over all the possible adsorption sites is presented.