| 초록 |
2D materials show advanced performance as a lubricant additive in reducing interface friction and wear because of their unique structure. Heterojunction hybrid system 2D materials can have incommensurate contact, thereby achieving the improved properties. Black phosphorus (BP) and graphene oxide (GO) are promising candidates for lubricant but their enhanced tribological mechanism is not well understood. The friction properties are sensitively influenced by the interface conditions such as functional species of surface, coverage and orientation but it is hard to get through experiment. Here, using DFT calculation, we quantitatively analyze the effect of oxygen and hydroxyl functional and their coverage on friction properties. Interlayer charge distribution is modified by the functional configuration and coverage of the system, it results in changing the friction properties. Especially, high coverage and zigzag configuration oxygen functional GO shows outstanding friction properties and it match up potential energy surface analysis well. We uncover the mechanism of tribology properties on hetero BP-GO system and suggest the direction of modifying 2D materials for lubricant additives. |
