Metal nanoparticles (NPs) have attracted considerable attention in heterogeneous catalysis due to their unique nanoscale properties. However, rational design and optimization of supported NP catalysts requires an accurate description of metal-support interactions, which can significantly impact NP stability and catalytic activity. The ability to calculate NP interactions with amorphous supports, which are commonly used in industrial practice, has been inhibited by a lack of accurate atomically-detailed models of amorphous surfaces. We have developed an approach for constructing atomistic models of amorphous silica surfaces, using a combination of classical molecular modeling and density functional theory (DFT) calculations. To experimenta...
Supported gold nanoparticles are used for a wide range of catalytic processes. For example, Au/MgO c...
Nanoparticles exhibit distinctly different properties from those of bulk matter, as a result of thei...
This dissertation is focused on understanding the structure-activity relationship in heterogeneous c...
Metal nanoparticles (NPs) have attracted considerable attention in heterogeneous catalysis due to th...
Catalysts lie in the central role in chemical reactions and act as the heart of countless chemical p...
An accurate description of metal nanoparticle (NP)–support interactions is required for designing an...
Several industrially important catalysts are single metals dispersed on amorphous supports. For exam...
Nanomaterials have gained much attention as catalysts since the discovery of exceptional CO oxidatio...
Monometallic and bimetallic model catalysts on either refractory metal singlecrystals as planar surf...
The interaction between catalytic nanoparticles (NPs) and their supports, which are often amorphous ...
textThe science and technology of catalysis is more important today than at any other time in our hi...
Conspectus Single-Atom alloys (SAAs) are an emerging class of materials consisting of a coinage met...
Nanocatalysts have drawn considerable interest because of their high selectivity and reactivity comp...
Density functional theory (DFT) is widely used to predict the structures and properties of nanoparti...
Accurate atomically detailed models of amorphous materials have been elusive to-date due to limitati...
Supported gold nanoparticles are used for a wide range of catalytic processes. For example, Au/MgO c...
Nanoparticles exhibit distinctly different properties from those of bulk matter, as a result of thei...
This dissertation is focused on understanding the structure-activity relationship in heterogeneous c...
Metal nanoparticles (NPs) have attracted considerable attention in heterogeneous catalysis due to th...
Catalysts lie in the central role in chemical reactions and act as the heart of countless chemical p...
An accurate description of metal nanoparticle (NP)–support interactions is required for designing an...
Several industrially important catalysts are single metals dispersed on amorphous supports. For exam...
Nanomaterials have gained much attention as catalysts since the discovery of exceptional CO oxidatio...
Monometallic and bimetallic model catalysts on either refractory metal singlecrystals as planar surf...
The interaction between catalytic nanoparticles (NPs) and their supports, which are often amorphous ...
textThe science and technology of catalysis is more important today than at any other time in our hi...
Conspectus Single-Atom alloys (SAAs) are an emerging class of materials consisting of a coinage met...
Nanocatalysts have drawn considerable interest because of their high selectivity and reactivity comp...
Density functional theory (DFT) is widely used to predict the structures and properties of nanoparti...
Accurate atomically detailed models of amorphous materials have been elusive to-date due to limitati...
Supported gold nanoparticles are used for a wide range of catalytic processes. For example, Au/MgO c...
Nanoparticles exhibit distinctly different properties from those of bulk matter, as a result of thei...
This dissertation is focused on understanding the structure-activity relationship in heterogeneous c...