6 Result(s)
within
Joakim Halldin Stenlid
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Article
Dynamic and reversible transformations of subnanometre-sized palladium on ceria for efficient methane removal
Reversibly adjusting the active structures of supported metal catalysts in response to dynamic working conditions has long been pursued. Here we report the reaction-environment-modulated transformations of sub...
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Article
Open AccessElectronic structure factors and the importance of adsorbate effects in chemisorption on surface alloys
The chemisorption energy is an integral aspect of surface chemistry, central to numerous fields such as catalysis, corrosion, and nanotechnology. Electronic-structure-based methods such as the Newns-Anderson m...
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Article
Open AccessTrends in oxygenate/hydrocarbon selectivity for electrochemical CO(2) reduction to C2 products
The electrochemical conversion of carbon di-/monoxide into commodity chemicals paves a way towards a sustainable society but it also presents one of the great challenges in catalysis. Herein, we present the tr...
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Open AccessKey activity descriptors of nickel-iron oxygen evolution electrocatalysts in the presence of alkali metal cations
Efficient oxygen evolution reaction (OER) electrocatalysts are pivotal for sustainable fuel production, where the Ni-Fe oxyhydroxide (OOH) is among the most active catalysts for alkaline OER. Electrolyte alkal...
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Article
Tying different knots in a molecular strand
The properties of knots are exploited in a range of applications, from shoelaces to the knots used for climbing, fishing and sailing1. Although knots are found in DNA and proteins2, and form randomly in other lon...
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Article
Open AccessMechanism and regioselectivity of electrophilic aromatic nitration in solution: the validity of the transition state approach
The potential energy surfaces in gas phase and in aqueous solution for the nitration of benzene, chlorobenzene, and phenol have been elucidated with density functional theory at the M06-2X/6-311G(d,p) level co...
