▎ 摘　　要

Graphene based sensors have shown excellent potential in the trace detection of specific gases which are hazardous to humans or environmentally toxic. Sensor designs incorporating pristine graphene, graphene oxide, and nano patterned graphene have been the focus of much recent experimental and computational research. The application of graphene based sensors in the trace detection of explosives has seen relatively limited study, due in part to the difficulties of conducting experiments using the nitramine and aromatic explosives of central interest. Computational studies of explosive sensors are not subject to hazardous materials handling constraints, and may be used to complement experimental research on the development of low weight, low power, graphene-based sensors. Ab initio models of five different graphene nanoribbon sensor configurations have been developed, and their chemiresistive response to three widely used explosives and four background gases has been investigated. The results indicate that the sensitivity and selectivity of nanoribbon devices exposed to mixtures of explosives and background gases will vary significantly with explosive type and sensor configuration.