2021
DOI: 10.3390/sym13101950
|View full text |Cite
|
Sign up to set email alerts
|

DFT Insights into the Hydrodenitrogenation and Ring-Opening of Indole on an M (M = Ni, Pt, Ni–Pt) Slab Model

Abstract: Density functional theory (DFT) calculation has been used to study the hydrodenitrogenation (HDN) and ring-opening of indole on an M (M = Ni, Pt, Ni–Pt) slab surface. The possible reaction pathway of indole hydrogenation has been investigated in order to reveal the bimetallic synergistic effects of an M slab surface. Compared to the mechanism of indole hydrogenation on an M slab surface, it was found that a PtNi(111) surface favors indole hydrogenation. According to the results of DFT calculation, it suggests … Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1

Citation Types

0
1
0

Year Published

2024
2024
2024
2024

Publication Types

Select...
1

Relationship

0
1

Authors

Journals

citations
Cited by 1 publication
(1 citation statement)
references
References 24 publications
0
1
0
Order By: Relevance
“…Epoxy resins are widely used in global industrial production because of their excellent adhesion, corrosion resistance and thermostability 1–7 . However, due to its brittleness, the further development of epoxy resin in many fields is limited, especially in civil engineering.…”
Section: Introductionmentioning
confidence: 99%
“…Epoxy resins are widely used in global industrial production because of their excellent adhesion, corrosion resistance and thermostability 1–7 . However, due to its brittleness, the further development of epoxy resin in many fields is limited, especially in civil engineering.…”
Section: Introductionmentioning
confidence: 99%