Ab‐initio investigation of chemical‐bond formation at the diamond‐like carbon surface

Diamond‐like carbon (DLC) is a promising material for tribology‐based applications. We investigate the susceptibility of the DLC surface to some characteristic molecules that are potentially present in various lubricants by means of ab‐initio calculations. We demonstrate that the strongest bond is formed between the oxygen atoms from the molecule and the metallic dopants present in the DLC. We present the first experimental evidence that proves the theoretical hypothesis. Copyright © 2014 John Wiley & Sons, Ltd.