https://www.selleckchem.com/pr....oducts/jnj-64264681.
Using first-principles density functional theory calculations, we systematically investigate the structural and electrical properties of pure and hydrogen (H) or fluorine (F) functionalized polar (111) cubic boron nitride (c-BN) surface. In the absence of surface functionalization, only the reconstructed B-terminated surface is energetically preferable. The hydrogenation is favorable for stabilizing N- and B-terminated surfaces, while the fluorination only obtains the stable unreconstructed B-terminated structure due to strong site
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