Conversion of CO2 on a highly active and stable Cu/FeOx/CeO2 catalyst: tuning catalytic performance by oxide-oxide interactions
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99 GENERAL AND MISCELLANEOUS↗
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Results for “catalytic”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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The role of oxygenated species in the catalytic self-coupling of MeOH on O pre-covered Au(111)
Density functional theory and kinetic Monte Carlo simulation elucidate the complex pathways of methanol oxidation, as well as the role of different oxygenates in this chemistry, which is important in the valorisation of biomass.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Recent advances in the selective catalytic hydrodeoxygenation of lignin-derived oxygenates to arenes
We summarize the recent advances, challenges, and perspectives in developing selective catalysts for HDO of phenolics.
Zhang, Jianghao↗
Methanol to aromatics: isolated zinc phosphate groups on HZSM-5 zeolite enhance BTX selectivity and catalytic stability
HZSM-5 zeolite combined with unique zinc and phosphorus species, yields excellent selectivity (~85%) to BTX (benzene, toluene, xylenes) in aromatic products. It was found that both zinc and phosphorus species were highly distributed in the pores of the zeolite channel network to form isolated zinc phosphate groups, which directly bond to the surface of zeolite, leading to a strong Lewis acidic center and an optimized surface acidity distribution favorable for BTX formation and the hydrothermal stability of the catalyst.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Threshold catalytic onset of carbon formation on CeO2 during CO2 electrolysis: mechanism and inhibition
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99 GENERAL AND MISCELLANEOUS↗
Catalytic behavior of hexaphenyldisiloxane in the synthesis of pyrite FeS[subscript 2]
Abstract not provided
Todd, Paul K.↗
Catalytic coproduction of methanol and glycol in one pot from epoxide, CO 2 , and H 2
An atom (100%) and energy-efficient approach to coproduce two commodity chemicals, methanol and glycol, has been demonstrated for the first time using H 2 , CO 2 , and epoxide as feeds.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Secondary effectiveness factors for catalytic reactions in series: extension to slab, cylindrical, and spherical geometries
‘Secondary’ effectiveness factors are developed for reactions in series that are useful for controlling the yield of the intermediate product ( B ).
Chemistry↗
Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal–organic framework
Removing labile protons via acetylation of the structural nodes in a metal–organic framework enhances catalysis at the heme linkers.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study
The de novo crystal structure of SfmD reveals a novel c -type heme cofactor for promoting a monooxygenation reaction in the biosynthetic pathway of saframycin A.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO 2
Here, the reactions of bis(2-pyridylthio)methane with Me 2 Zn and Zn[N(SiMe 3 ) 2 ] 2 afford [Bptm]ZnMe and [Bptm]ZnN(SiMe 3 ) 2 , thereby providing access to a variety of other [Bptm]ZnX derivatives, including the zinc hydride complex [Bptm]ZnH, which serves as a catalyst for the reduction of CO 2 and other carbonyl compounds via hydrosilylation and hydroboration.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Elucidating the role of catalytic amino acid residues in the peptide-mediated silica oligomerization reaction mechanism
This manuscript explores the reaction mechanisms of peptide-based biomineralization processes. Charged sidechains are known to play a role in silicate oligomerization, but the underlying mechanisms and energy landscapes have not been determined.
Hare, Stephanie R.↗
Activation and catalytic transformation of methane under mild conditions
In the last few decades, scientists have been motivated by promising production of chemicals from methane under mild conditions for low energy consumption and climate remediation; significant fundamental understanding on this topic has been achieved.
Tang, Yu↗
Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts
The BINOL supported chiral boronate ester [C 10 H 12 O 2 BC 6 F5(THF)] [(R)-1], [C 10 H 12 O 2 BC 6 F 5 (O=PEt 3 )] [(R)-3] and [C 10 H 12 O 2 BC 6 F 5 ] 2 [(R,R)-2] as well as the chiral boronium salts [C 10 H 12 O 2 B(O=PEt 3 ) 2 ] + [B(O 2 C 10 H 12 ) 2 ] - , [(R)-6] and [C 10 H 12 O 2 B(O=SMe 2 ) 2 ] + [B(O 2 C 10 H 12 ) 2 ] [(R)-7] have been synthesized, characterized by NMR spectroscopy, and the solid state structures of [(R)-1], [(R,R)-2] and [(R)-3] determined. Chiral ester [(R)-1] was found to be a potent Lewis acid, similar to B(C 6 F 5 ) 3 , and capable of rapidly catalyzing the annulation of (R)-, (S)- and rac-styrene oxide with nitrone PhCH=N(O)Me to trans-2-methyl-3,6-diphenyl-1,4,2-dioxazine (trans-11) with high regio- and diastereoslectivities.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Catalytic reduction of carbon dioxide by a zinc hydride compound, [Tptm]ZnH, and conversion to the methanol level
The zinc hydride compound, [Tptm]ZnH, may achieve the reduction of CO 2 by (RO) 3 SiH (R = Me, Et) to the methanol oxidation level, (MeO) x Si(OR) 4–x , via the formate species, HCO 2 Si(OR) 3 . Furthermore, because insertion of CO 2 into the Zn–H bond is more facile than insertion of HCO 2 Si(OR) 3 , conversion of HCO 2 Si(OR) 3 to the methanol level only occurs to a significant extent in the absence of CO 2 .
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Designing an innovation system to support profitable electro- and bio-catalytic carbon upgrade
Carbon capture, utilisation, and storage (CCUS) can mitigate an estimated 14–20% of CO 2 emissions by 2050. Here, we evaluate an integrated electrocatalysis and biocatalysis CCUS pathway, using externally-supplied renewable electricity to convert over 12 MtCO 2 to poly(3-hydroxybutyrate) via methanol and formate intermediates. A techno-economic and policy-innovation analysis provides insight into global CCUS innovation. Results suggest that innovation should focus on improving methanol faradaic efficiency, formate biocatalysis efficiency, electrocatalysis current density, and catalyst performance. Methanol and formate composition influences performance, but higher formate content can improve economics by US$3.8B over a 30 year lifetime. Profitable scenarios hinge on reducing methanol separation costs – through innovation or reduced energy usage – along with cheap renewable electricity and/or carbon pricing. Our evaluation of the global innovation status signifies that coordinated strategies are required to realise emissions cuts from CCUS. Innovation can be spurred by targeted investments and policies that promote emissions reductions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Synthesis of (hemi)cellulosic lubricant base oils via catalytic coupling and deoxygenation pathways
The past decade has witnessed a significant growth in bioproduct development due to the strong interest in creating a more diverse energy supply, environmental sustainability, and a carbon neutral bioeconomy. The initial biorefinery strategy, which focused mainly on the production of low carbon number drop-in bioproducts, has recently shifted its focus on the production of high carbon number and high performance bioproducts with unique properties and value propositions. One such product is lubricant base oil (LBO), which represents over $150 billion global lubricant market and is used for various industrial, automotive, marine, metal-working, consumer, and specialized applications. The application landscape of lubricants has changed significantly over the past decade because of environmental regulations and the growing demand for sustainable lubricants to mitigate regulatory challenges and improve carbon footprint. Currently, only 3% LBOs are produced from bio-based triglycerides/fatty acids. Because of low oxidation stability and high hydrolytic susceptibility, these bio-based LBOs have limited applications. Thus, research and development and commercialization efforts for (hemi)cellulosic LBOs to meet the market demand have received momentum over the past few years. This review describes strategies to produce (hemi)cellulosic LBOs via carbon–carbon coupling and hydrodeoxygenation chemistries. We emphasize the coupling strategies to create LBOs with a branched architecture to surrogate petroleum-based poly-α-olefins. Here, a structure–property relationship for tuning the key specifications of LBOs as a function of molecular architecture is illustrated. Mechanistic understanding and molecular interactions of multi-furan substrates with the active sites of complex multifunctional catalysts are described. Furthermore, techno-economic and life-cycle analysis is summarized along with standing challenges and future opportunities.
09 BIOMASS FUELS↗
Toward benchmarking theoretical computations of elementary rate constants on catalytic surfaces: formate decomposition on Au and Cu
The underlying factors that result in the high pre-exponential factors for formate decomposition on Au and Cu(110) surfaces and the origins of differences between experiment and theory that may arise are reported.
77 NANOSCIENCE AND NANOTECHNOLOGY↗