Atomic scale analysis of sterical effects in the adsorption of 4,6-dimethyldibenzothiophene on a CoMoS hydrotreating catalyst

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• 作者：Signe S. Grø ; nborg^a ; Manuel &Scaron ; arić^b ; Poul G. Moses^d ; Jan Rossmeisl^c ; Jeppe V. Lauritsen^a ; ^{jvang@inano.au.dk}
• 关键词：Scanning tunneling microscopy ; Density functional theory ; CoMoS ; Hydrotreating ; Hydrodesulfurization ; Ultra-low sulfur diesel ; Sterical hindrance
• 刊名：Journal of Catalysis
• 出版年：2016
• 出版时间：December 2016
• 年：2016
• 卷：344
• 期：Complete
• 页码：121-128
• 全文大小：2030 K
• 卷排序：344

文摘

Atomically resolved scanning tunneling microscopy reveals 4,6-DMDBT adsorption on CoMoS. The sterically hindered molecule 4,6-DMDBT adsorbs in two configurations on promoted S-edges. Corner S-vacancies in CoMoS have special affinity for adsorption. Dynamics between the σ-mode and π-adsorption reveals a link between different HYD and DDS pathways. Low direct desulfurization activity may be due to low occurrence of S-vacancies on CoMoS edges.