1,1-Dimethylhydrazine adsorption on intrinsic, vacancy, and N-doped graphene: a first-principle study.

Graphene and its derivatives have been widely used in the area of high-sensitivity sensing materials for small-molecule gases. Based on first-principle calculations, the present study systematically investigated the adsorption of 1,1-dimethylhydrazine on intrinsic graphene, graphene with vacancy defects, and nitrogen-doped graphene. The adsorption effects, when 1,1-dimethylhydrazine takes on different orientations, were determined separately, and the specific adsorption energy and charge transfer were calculated accordingly.

Detection of 1,1 dimethylhydrazine by graphene oxide: first principles study.

The surface of graphene oxide (GO) with different oxidation levels is widely used in gas sensing applications. 1,1-Dimethylhydrazine (unsymmetrical dimethylhydrazine, UDMH) as a highly toxic and volatile pollution gas has long been investigated and discussed. The research reported here examined the stable structure of GO surface by first principles calculation.