First-principles investigation of hydrogen-related reactions on (100)-(2 x 1):H diamond surfaces

Guillaume, Emerick Y.Emerick Y.GuillaumeVanpoucke, Danny E. P.Danny E. P.VanpouckeRouzbahani Bayatani, RozitaRozitaRouzbahani BayataniMaffei, Luna PrataliLuna PrataliMaffeiPelucchi, MatteoMatteoPelucchiOlivier, YoannYoannOlivierHenrard, LucLucHenrardHaenen, KenKenHaenen2025-05-192024-04-092025-05-1920240008-6223WOS:001195405800001https://imec-publications.be/handle/20.500.12860/43806First-principles investigation of hydrogen-related reactions on (100)-(2 x 1):H diamond surfacesJournal article10.1016/j.carbon.2024.118949WOS:001195405800001CHEMICAL-VAPOR-DEPOSITIONTOTAL-ENERGY CALCULATIONSELASTIC BAND METHODMECHANISMGROWTH