Engineering graphene by oxidation: a first principles study [PDF]
Graphene epoxide, with oxygen atoms lining up on pristine graphene sheets, is investigated theoretically in this Letter. Two distinct phases: metastable clamped and unzipped structures are unveiled in consistence with experiments. In the stable (unzipped) phase, epoxy group breaks underneath sp2 bond and modifies the mechanical and electronic ...
Kun Xue, Pandey D, Zhiping Xu
arxiv +3 more sources
First-principles investigation of Ag-Cu alloy surfaces in an oxidizing environment [PDF]
In this paper we investigate by means of first-principles density functional theory calculations the (111) surface of the Ag-Cu alloy under varying conditions of pressure of the surrounding oxygen atmosphere and temperature. This alloy has been recently proposed as a catalyst with improved selectivity for ethylene epoxidation with respect to pure ...
Catherine Stampfl+9 more
arxiv +5 more sources
Ag-Cu alloy surfaces in an oxidizing environment: a first-principles study [PDF]
Recent experiments on model catalysts have shown that Ag-Cu alloys have improved selectivity with respect to pure silver for ethylene epoxidation. In this paper we review our first-principles investigations on the (111) surface of this alloy and present new findings on other low index surfaces.
Bocquet+56 more
arxiv +3 more sources
SOME IN VITRO DE-EPOXIDATION OF EPOXIDE CAROTENOIDS
Kiyoshi Tsukida
openalex +5 more sources
Influence of reaction products on the selective oxidation of ethene [PDF]
The kinetics of the selective oxidation of ethene in air over an industrial silver on ¿-alumina catalyst were studied. Special attention was paid to the influence of the reaction products on the reaction rates of epoxidation and complete combustion ...
Borman, P.C.+4 more
core +18 more sources
Synthesis and Kinetic Model of Oleic Acid-based Epoxides by In Situ Peracid Mechanism [PDF]
The global consumption of raw materials has shifted from the use of non-renewable materials to renewable materials. Studies on greener epoxidation by using vegetable oils to produce eco-friendly epoxides have also increased.
Intan Suhada Azmi+5 more
doaj +1 more source
Substituted Epoxides by Lithiation of Terminal Epoxides [PDF]
AbstractFor Abstract see ChemInform Abstract in Full Text.
Hodgson, D, Reynolds, N, Coote, S
openaire +4 more sources
Br−/BrO−-mediated highly efficient photoelectrochemical epoxidation of alkenes on α-Fe2O3
Alkene epoxidation, whose products are important intermediates for the manufacture of pharmaceuticals and epoxy resins, has attracted extensive attention.
Yukun Zhao+9 more
doaj +1 more source
Chiral Epoxides by Desymmetrizing Deprotonation ofmeso-Epoxides [PDF]
AbstractFor Abstract see ChemInform Abstract in Full Text.
Hodgson, D, Gras, E
openaire +4 more sources
High Yield Dihydroxystearic Acid (DHSA) Based on Kinetic Model from Epoxidized Palm Oil [PDF]
In recent years, studies related to the epoxidation of fatty acids have garnered much interest due to the rising demand for eco-friendly epoxides derived from vegetable oils.
Mohd Jumain Jalil+6 more
doaj +1 more source