Fig. 3: Reaction mechanism of the oxygen-driven unzipping black phosphorus processes.
From: Unzipping of black phosphorus to form zigzag-phosphorene nanobelts
Energy profile of the unzipping process through four possible routes: (i) Route 1-1, the formation of interstitial oxygen route under the conditions with O2, but without H2O (green); (ii) Route 1-2, the formation of interstitial oxygen route under the conditions with O2 and H2O (orange); (iii) Route 2, the formation of dangling oxygen route under the conditions with O2 and H2O (blue); (iv) Route 3, through breaking P–P under the conditions without H2O and O2 (purple), respectively. Corresponding side structures of each configuration for unzipping process are also shown inside.
