Homogenous single-layer MoS2 films coated with sub-single layer amounts of gold are found to isolate the reaction of methanol with carbon monoxide, the fundamental step toward higher alcohols, from an array of possible surface reactions. Active surfaces were prepared from homogenous single-layer MoS2 films coated with sub-single layer amounts of gold. These gold atoms formed clusters on the MoS2 surface. A gas mixture of carbon monoxide (CO) and methanol (CH3OH) was partially converted to acetaldehyde (CH3CHO) under mild process conditions (308 kPa and 393 K). This carbonylation of methanol to a C2 species is a critical step toward the formation of higher alcohols. Density functional theory modeling of critical steps of the catalytic proces...
Employing dispersion-corrected density functional theory, we examine the geometry, electronic struct...
The conversion of CO2 into methanol catalyzed by β-Mo2C and Cu/β-Mo2C surfaces has been investigated...
Molybdenum phosphide (MoP) catalyzes the hydrogenation of CO, CO2, and their mixtures to methanol, a...
Homogenous single-layer MoS2 films coated with sub-single layer amounts of gold are found to isolate...
We demonstrate that a fused silica substrate can be rendered active for acetaldehyde (CH3CHO) synthe...
This dataset contains the following structures, that are used in: K. Almeida, K.L. Chagoya, A. Felix...
Capture and recycling of CO2 into valuable chemicals such as alcohols could help mitigate its emissi...
The catalytic oxidation of bio-ethanol to acetaldehyde entails a promising route for valorization of...
Molecular simulation and experimental methods have been used to assess the catalytic behavior of MoP...
ConspectusMethane represents one of the most abundant carbon sources for fuel or chemical production...
Recently, there has been a marked increase in the interest shown in catalysis by gold. It is now rec...
Nanoporous gold (np-Au) is a pure metal-based catalyst, which forms methyl formate very selectively ...
As the world’s oil reserves decline, the need for petroleum-free routes for the production of lower ...
Small gold nanoparticles supported on ZnO have been identified as highly active and selective cataly...
Laboratory catalytic reactions of methanol over heated crystalline silicates (forsterite) lead to th...
Employing dispersion-corrected density functional theory, we examine the geometry, electronic struct...
The conversion of CO2 into methanol catalyzed by β-Mo2C and Cu/β-Mo2C surfaces has been investigated...
Molybdenum phosphide (MoP) catalyzes the hydrogenation of CO, CO2, and their mixtures to methanol, a...
Homogenous single-layer MoS2 films coated with sub-single layer amounts of gold are found to isolate...
We demonstrate that a fused silica substrate can be rendered active for acetaldehyde (CH3CHO) synthe...
This dataset contains the following structures, that are used in: K. Almeida, K.L. Chagoya, A. Felix...
Capture and recycling of CO2 into valuable chemicals such as alcohols could help mitigate its emissi...
The catalytic oxidation of bio-ethanol to acetaldehyde entails a promising route for valorization of...
Molecular simulation and experimental methods have been used to assess the catalytic behavior of MoP...
ConspectusMethane represents one of the most abundant carbon sources for fuel or chemical production...
Recently, there has been a marked increase in the interest shown in catalysis by gold. It is now rec...
Nanoporous gold (np-Au) is a pure metal-based catalyst, which forms methyl formate very selectively ...
As the world’s oil reserves decline, the need for petroleum-free routes for the production of lower ...
Small gold nanoparticles supported on ZnO have been identified as highly active and selective cataly...
Laboratory catalytic reactions of methanol over heated crystalline silicates (forsterite) lead to th...
Employing dispersion-corrected density functional theory, we examine the geometry, electronic struct...
The conversion of CO2 into methanol catalyzed by β-Mo2C and Cu/β-Mo2C surfaces has been investigated...
Molybdenum phosphide (MoP) catalyzes the hydrogenation of CO, CO2, and their mixtures to methanol, a...