Single-atom alloy catalysis
Single-atom alloys (SAAs) play an increasingly significant role in the field of single-site
catalysis and are typically composed of catalytically active elements atomically dispersed in …
catalysis and are typically composed of catalytically active elements atomically dispersed in …
[HTML][HTML] Magic of hydrogen spillover: Understanding and application
The hydrogen spillover effect (HSPE) plays an important role in heterogeneous catalysis
and hydrogen storage as an interfacial phenomenon, which facilitates the improvement of …
and hydrogen storage as an interfacial phenomenon, which facilitates the improvement of …
Guidelines to achieving high selectivity for the hydrogenation of α, β-unsaturated aldehydes with bimetallic and dilute alloy catalysts: a review
Selective hydrogenation of α, β-unsaturated aldehydes to unsaturated alcohols is a
challenging class of reactions, yielding valuable intermediates for the production of …
challenging class of reactions, yielding valuable intermediates for the production of …
Single-atom alloys as a reductionist approach to the rational design of heterogeneous catalysts
G Giannakakis… - Accounts of chemical …, 2018 - ACS Publications
Conspectus Heterogeneous catalysts are workhorses in the industrial production of most
commodity and specialty chemicals, and have widespread energy and environmental …
commodity and specialty chemicals, and have widespread energy and environmental …
Selective hydrogenation of 1, 3-butadiene on platinum–copper alloys at the single-atom limit
Platinum is ubiquitous in the production sectors of chemicals and fuels; however, its scarcity
in nature and high price will limit future proliferation of platinum-catalysed reactions. One …
in nature and high price will limit future proliferation of platinum-catalysed reactions. One …
Isolated metal atom geometries as a strategy for selective heterogeneous hydrogenations
Facile dissociation of reactants and weak binding of intermediates are key requirements for
efficient and selective catalysis. However, these two variables are intimately linked in a way …
efficient and selective catalysis. However, these two variables are intimately linked in a way …
[書籍][B] Comprehensive handbook of chemical bond energies
YR Luo - 2007 - taylorfrancis.com
Understanding the energy it takes to build or break chemical bonds is essential for scientists
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …
Reversible work transition state theory: application to dissociative adsorption of hydrogen
A practical method for finding free energy barriers for transitions in high-dimensional
classical and quantum systems is presented and used to calculate the dissociative sticking …
classical and quantum systems is presented and used to calculate the dissociative sticking …
Quantum and thermal effects in dissociative adsorption: Evaluation of free energy barriers in multidimensional quantum systems
G Mills, H Jónsson - Physical review letters, 1994 - APS
We have evaluated the sticking probability and activation energy for dissociation of H 2
molecules on a Cu (110) surface by a reversible work formulation of quantum transition state …
molecules on a Cu (110) surface by a reversible work formulation of quantum transition state …
Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: A DFT study
Periodic, self-consistent DFT-GGA (PW91) calculations are used to study the interaction of
hydrogen with different facets of seventeen transition metals—the (100) and (111) facets of …
hydrogen with different facets of seventeen transition metals—the (100) and (111) facets of …