Ab initio studies of hydrogen and oxygen chemisorptions on the cubic BN(1 1 1) surface

• Main Authors: Yang, S.W., Loh, K.P., Wu, P.
• Other Authors: INST OF HIGH PERFORMANCE COMPUTING
• Format: Article
• Published: 2014
• Subjects: Ab initio; Ab initio calculations; Boron nitride; c-BN surface; Density functional theory; DFT calculation; Surface absorptions and surface reactions
• Online Access: http://scholarbank.nus.edu.sg/handle/10635/75508
• Institution: National University of Singapore

10.1016/j.susc.2005.10.003