Core–shell nanoparticles: synthesis and applications in catalysis and electrocatalysis
Core–shell nanoparticles (CSNs) are a class of nanostructured materials that have recently
received increased attention owing to their interesting properties and broad range of …
received increased attention owing to their interesting properties and broad range of …
Heterogeneous catalytic conversion of CO 2: a comprehensive theoretical review
The conversion of CO2 into fuels and useful chemicals has been intensively pursued for
renewable, sustainable and green energy. However, due to the negative adiabatic electron …
renewable, sustainable and green energy. However, due to the negative adiabatic electron …
From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis
We discuss three concepts that have made it possible to develop a quantitative
understanding of trends in transition-metal catalysis: scaling relations, activity maps, and the …
understanding of trends in transition-metal catalysis: scaling relations, activity maps, and the …
Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol
The use of methanol as a fuel and chemical feedstock could become very important in the
development of a more sustainable society if methanol could be efficiently obtained from the …
development of a more sustainable society if methanol could be efficiently obtained from the …
Beyond scaling relations for the description of catalytic materials
Computational screening for new and improved catalyst materials relies on accurate and
low-cost predictions of key parameters such as adsorption energies. Here, we use recently …
low-cost predictions of key parameters such as adsorption energies. Here, we use recently …
CatMAP: a software package for descriptor-based microkinetic mapping of catalytic trends
Descriptor-based analysis is a powerful tool for understanding the trends across various
catalysts. In general, the rate of a reaction over a given catalyst is a function of many …
catalysts. In general, the rate of a reaction over a given catalyst is a function of many …
An alloy chemistry strategy to tailoring the d-band center of Ni by Cu for efficient and selective catalytic hydrogenation of furfural
Nickel is a promising catalyst for the hydrogenation of furfural (FA) into furfuryl alcohol (FOL)
and tetrahydrofurfuryl alcohol (TFOL). However, slow H* desorption and low catalytic …
and tetrahydrofurfuryl alcohol (TFOL). However, slow H* desorption and low catalytic …
Ni-based bimetallic heterogeneous catalysts for energy and environmental applications
Bimetallic catalysts have attracted extensive attention for a wide range of applications in
energy production and environmental remediation due to their tunable chemical/physical …
energy production and environmental remediation due to their tunable chemical/physical …
Efficient and versatile CuNi alloy nanocatalysts for the highly selective hydrogenation of furfural
J Wu, G Gao, J Li, P Sun, X Long, F Li - Applied Catalysis B: Environmental, 2017 - Elsevier
The development of efficient and environmental benign non-noble bimetallic nanocatalysts
is highly desirable and attractive in the upgrading of biomass-derived platform compounds …
is highly desirable and attractive in the upgrading of biomass-derived platform compounds …
Free-energy barriers and reaction mechanisms for the electrochemical reduction of CO on the Cu (100) surface, including multiple layers of explicit solvent at pH 0
The great interest in the photochemical reduction from CO2 to fuels and chemicals has
focused attention on Cu because of its unique ability to catalyze formation of carbon …
focused attention on Cu because of its unique ability to catalyze formation of carbon …