Publication:

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

Date

2024
Journal article
https://doi.org/10.1016/j.carbon.2024.118949
Simple item page Full metadata Statistics
 
dc.contributor.authorGuillaume, Emerick Y.
dc.contributor.authorVanpoucke, Danny E. P.
dc.contributor.authorRouzbahani Bayatani, Rozita
dc.contributor.authorMaffei, Luna Pratali
dc.contributor.authorPelucchi, Matteo
dc.contributor.authorOlivier, Yoann
dc.contributor.authorHenrard, Luc
dc.contributor.authorHaenen, Ken
dc.contributor.imecauthorGuillaume, Emerick Y.
dc.contributor.imecauthorVanpoucke, Danny E. P.
dc.contributor.imecauthorHaenen, Ken
dc.contributor.imecauthorRouzbahani Bayatani, Rozita
dc.contributor.orcidimecHaenen, Ken::0000-0001-6711-7367
dc.contributor.orcidimecRouzbahani Bayatani, Rozita::0000-0001-5528-1434
dc.date.accessioned2025-05-19T14:58:13Z
dc.date.available2024-04-09T17:57:46Z
dc.date.available2025-05-19T14:58:13Z
dc.date.embargo2024-08-24
dc.date.issued2024
dc.description.wosFundingTextEYG's scholarship is funded by ADRE and BOF, Belgium under grant no. A-8581 and R-9982. The resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) , funded by the Research Foundation-Flanders (FWO) and the Flemish Government, and by the Consortium des Equipements de Calcul Intensif (CECI) , Belgium, funded by the Fonds de la Recherche Scientifique de Belgique (F.R.S.-FNRS) , Belgium under Grant No. 2.5020.11 and by the Walloon Region, Belgium. LPM's contribution to this study was carried out within the NEST-Network 4 Energy Sustainable Transition (D.D. 1243 02/08/2022, PE00000021) and received funding under the National Recovery and Resilience Plan (NRRP) , Belgium, Mission 4 Component 2 Investment 1.3, funded from the European Union-NextGenerationEU. This manuscript reflects only the author's views and opinions, neither the European Union nor the European Commission can be considered responsible for them. Finally, this work was also financially supported by the Methusalem NANO network, Belgium. EYG would like to thank P. Pobedinskas for the in-depth discussions on the experimental growth of diamond.
dc.identifier.doi10.1016/j.carbon.2024.118949
dc.identifier.issn0008-6223
dc.identifier.urihttps://imec-publications.be/handle/20.500.12860/43806
dc.publisherPERGAMON-ELSEVIER SCIENCE LTD
dc.source.beginpageArt. 118949
dc.source.endpageN/A
dc.source.issue25 March
dc.source.journalCARBON
dc.source.numberofpages10
dc.source.volume222
dc.subject.keywordsCHEMICAL-VAPOR-DEPOSITION
dc.subject.keywordsTOTAL-ENERGY CALCULATIONS
dc.subject.keywordsELASTIC BAND METHOD
dc.subject.keywordsMECHANISM
dc.subject.keywordsGROWTH
dc.title

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

dc.typeJournal article
dspace.entity.typePublication
Files

Original bundle

Name:
Hydrogen_migrations_and_desorptions_on__100___2x1__H_diamond_surfaces_final.pdf
Size:
1.68 MB
Format:
Adobe Portable Document Format
Description:
Accepted version
Download
Publication available in collections:
Articles