@article{dumon:hal-03596645, TITLE = {{Hydrogenolysis and $\beta$--elimination mechanisms for C S bond scission of dibenzothiophene on CoMoS edge sites}}, AUTHOR = {Dumon, Alexandre and Sahu, Amit and Raybaud, Pascal}, URL = {https://ifp.hal.science/hal-03596645}, JOURNAL = {{Journal of Catalysis}}, PUBLISHER = {{Elsevier}}, VOLUME = {403}, PAGES = {32-42}, YEAR = {2021}, MONTH = Nov, DOI = {10.1016/j.jcat.2021.01.030}, KEYWORDS = {hydrodesulfurization ; dibenzothiophene ; hydrogenolysis ; beta-elimination ; CoMoS ; edge sites ; density functional theory}, PDF = {https://ifp.hal.science/hal-03596645/file/Manuscript-DBT.pdf}, HAL_ID = {hal-03596645}, HAL_VERSION = {v1}, }