A reactive molecular dynamics study of the hydrogenation of diamond surfaces
Eliezer Fernando Oliveira, Mahesh R. Neupane, Chenxi Li, Harikishan Kannan, Xiang Zhang, Anand B. Puthirath, Pankaj B. Shah, A. Glen Birdwell, Tony Ivanov, Róbert Vajtai, Douglas S. Galvão, Pulickel M. Ajayan
Topics & Concepts
DiamondDangling bondMaterials scienceHydrogenMolecular dynamicsPassivationChemical physicsMaterial properties of diamondNanotechnologyComputational chemistrySiliconOptoelectronicsChemistryComposite materialLayer (electronics)Organic chemistryDiamond and Carbon-based Materials ResearchGraphene research and applicationsElectronic and Structural Properties of Oxides