The thermal, electrical and thermoelectric properties in edge modified zigzag graphene nanoribbon are analyzed carefully by nonequilibrium Green's function formalism combined with first principles calculation. Epoxy (-O-) and hydroxyl groups (-OH) are considered for the ZGNR edge modification (ZGNR-O and ZGNR-OH). The results show that ZGNR-O and ZGNR-OH both can suppress obviously the phonon transport, leading to low phonon thermal conductance. While ZGNR-O and ZGNR-OH hardly suppress electron transport within the positive energy, which induce...
