  Atomic and molecular layer deposition (ALD/MLD) coatings are promising
solutions for preventing dendrite formation in aqueous and non-aqueous Li/Na/Zn
metal batteries. Notably, alumina and alucone coatings have emerged as highly
effective against dendrite formation in Zn anodes. Despite their demonstrated
efficacy, a comprehensive understanding of their chemo-mechanical impact on
anodes remains elusive. In this study, we take a bottom-up framework to these
coatings on Zn foils, employing an approach that integrates \textit{ab initio}
simulations with continuum theories to elucidate lattice misfit and chemical
bonding. We use this insight to develop a macroscopic model to predict the
epitaxial residual stresses generated during thin-film deposition. Our findings
reveal a robust chemical bonding between the hydroxylated Zn surface and the
thin film. This, in turn, generates large misfit strains that result in
significant interfacial stresses during deposition. These results are then
compared to experiments by measuring the curvature of the coated thin films,
finding good agreement between experiments and theory. This novel understanding
sheds light on the fundamental mechanisms underpinning the development of
chemo-mechanical stresses in thin films, which impact dendrite suppression in
anodes, offering valuable insights for the design of new coatings.
