Theoretical modeling of electrochemical proton-coupled electron transfer
RE Warburton, AV Soudackov… - Chemical …, 2022 - ACS Publications
Proton-coupled electron transfer (PCET) plays an essential role in a wide range of
electrocatalytic processes. A vast array of theoretical and computational methods have been …
electrocatalytic processes. A vast array of theoretical and computational methods have been …
Current status and perspectives in oxidative, non-oxidative and CO 2-mediated dehydrogenation of propane and isobutane over metal oxide catalysts
T Otroshchenko, G Jiang, VA Kondratenko… - Chemical Society …, 2021 - pubs.rsc.org
Conversion of propane or butanes from natural/shale gas into propene or butenes, which
are indispensable for the synthesis of commodity chemicals, is an important environmentally …
are indispensable for the synthesis of commodity chemicals, is an important environmentally …
C–H bond activation in light alkanes: a theoretical perspective
Alkanes are the major constituents of natural gas and crude oil, the feedstocks for the
chemical industry. The efficient and selective activation of C–H bonds can convert abundant …
chemical industry. The efficient and selective activation of C–H bonds can convert abundant …
Vanadium-node-functionalized UiO-66: a thermally stable MOF-supported catalyst for the gas-phase oxidative dehydrogenation of cyclohexene
HGT Nguyen, NM Schweitzer, CY Chang, TL Drake… - Acs …, 2014 - ACS Publications
The OH groups on the Zr-based nodes of ultrastable UiO-66 can be metallated with VV ions
in a facile fashion to give the derivative VUiO-66. This metallated MOF exhibits high stability …
in a facile fashion to give the derivative VUiO-66. This metallated MOF exhibits high stability …
Structure–activity relationships in Lewis acid–base heterogeneous catalysis
M Abdelgaid, G Mpourmpakis - ACS Catalysis, 2022 - ACS Publications
Heterogeneous catalysts are the key components in industrial chemical transformations.
Metal oxides are particularly appealing as catalysts owing to their inherent Lewis acid–base …
Metal oxides are particularly appealing as catalysts owing to their inherent Lewis acid–base …
A Strong Support Effect in Selective Propane Dehydrogenation Catalyzed by Ga(i-Bu)3 Grafted onto γ-Alumina and Silica
The reactions of Ga (i-Bu) 3 (i-Bu= CH2CH (CH3) 2) with the dehydrated and partially
dehydroxylated surfaces of alumina (Al2O3–500) and silica (SiO2–700) were studied by IR …
dehydroxylated surfaces of alumina (Al2O3–500) and silica (SiO2–700) were studied by IR …
Size-dependent catalytic activity of supported vanadium oxide species: oxidative dehydrogenation of propane
X Rozanska, R Fortrie, J Sauer - Journal of the American …, 2014 - ACS Publications
Possible reaction pathways for the oxidative dehydrogenation of propane by vanadium
oxide catalysts supported on silica are examined by density functional theory. Monomeric …
oxide catalysts supported on silica are examined by density functional theory. Monomeric …
Structure–performance relationships for propane dehydrogenation over aluminum supported vanadium oxide
Supported vanadium oxides serve as a substitutional catalyst for both propane nonoxidative
dehydrogenation (PDH) and oxidative dehydrogenation (ODH), resulting from their …
dehydrogenation (PDH) and oxidative dehydrogenation (ODH), resulting from their …
Dispersed vanadium in three-dimensional dendritic mesoporous silica nanospheres: active and stable catalysts for the oxidative dehydrogenation of propane in the …
XL Xue, WZ Lang, X Yan, YJ Guo - ACS Applied Materials & …, 2017 - ACS Publications
The uniform monodispersed vanadium-doped three-dimensional dendritic mesoporous
silica nanospheres (n V-MSNSs) were successfully synthesized in a heterogeneous oil …
silica nanospheres (n V-MSNSs) were successfully synthesized in a heterogeneous oil …
Mechanism for Al2O3 atomic layer deposition on LiMn2O4 from in situ measurements and ab initio calculations
Here, we elucidate the mechanism for Al 2 O 3 atomic layer deposition (ALD) on LiMn 2 O 4
(LMO) cathodes for lithium-ion batteries by using in situ and ex situ experimental …
(LMO) cathodes for lithium-ion batteries by using in situ and ex situ experimental …