The rational design of metal non-oxides is important for their catalytic application, which is however limited by the fact that the current synthetic strategies are short of effective control over formation reactions. Recently, the hybrids evenly integrating organic with inorganic molecules on a nanoscale significantly provided quasi-homogeneous reactions towards well-defined nanocatalysts of metal non-oxides, in which their structures and properties can be modulated in a wide range. Focusing on the nanostructures and the related catalytic behaviors, this feature article seeks to provide some control on the key structures and properties of metal non-oxides (e.g. carbides, nitrides, sulfides and selenides). It is thus anticipated to shed some light on the development of emerging materials for efficient catalysis, especially those used in energy utilization.