• The evolution in graphitic surface wettability with first-principles quantum simulations: the counterintuitive role of water 

      Lu, Jin-You; Lai, Chia-Yun; Almansoori, Ibraheem; Chiesa, Matteo (Journal article; Tidsskriftartikkel; Peer reviewed, 2018-08-08)
      The surface wettability of graphite has gained a lot of interest in nanotechnology and fundamental studies alike, but the types of adsorptions that dominate its time resolved surface property variations in ambient environment are still elusive. Prediction of the intrinsic surface wettability of graphite from first-principles simulations offers an opportunity to clarify the overall evolution. In this ...