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Industrial and Engineering Chemistry Research, ISSN 0888-5885, 09/2018, Volume 57, Issue 38, pp. 12715 - 12725
The diesel oxidation catalyst (DOC) is an essential component of modern vehicle emissions control systems. The pervasive challenge for low temperature... 
OXIDATION | ENGINEERING, CHEMICAL | AUGMENTED-WAVE METHOD | PT/AL2O3 | ADSORPTION ENERGIES | TOTAL-ENERGY CALCULATIONS | MODEL | DENSITY-FUNCTIONAL THEORY | BASIS-SET | TRANSITION-METALS | SURFACE-CHEMISTRY | Engineering
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 12/2018, Volume 140, Issue 48, pp. 16469 - 16487
Water adsorbed at the metal-support interface (MSI) plays an important role in multiple reactions. Due to its importance in CO preferential oxidation (PrOx),... 
Journal Article
ACS Catalysis, ISSN 2155-5435, 09/2017, Volume 7, Issue 10
Maximizing and creating active sites has been a general strategy to increase the performance of a catalyst. Because of the high electrocatalytic hydrogen... 
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 10/2017, Volume 139, Issue 39, pp. 13676 - 13679
A combination of scanning tunneling microscopy, subtractively normalized interfacial Fourier transform infrared spectroscopy (SNIFTIRS), and density functional... 
AUGMENTED-WAVE METHOD | ETHANOL ELECTROOXIDATION | CARBON-MONOXIDE | PLATINUM-MONOLAYER ELECTROCATALYSTS | DEPOSITION | INFRARED-SPECTROSCOPY | DENSITY-FUNCTIONAL THEORY | DOUBLE-LAYER | CHEMISTRY, MULTIDISCIPLINARY | LIMITED REDOX REPLACEMENT | SURFACES
Journal Article
ChemCatChem, ISSN 1867-3880, 07/2017, Volume 9, Issue 14, pp. 2612 - 2612
The front cover artwork for Issue 14/2017 is provided by the groups of Professor Grabow (University of Houston) and Professor Crossley (University of... 
Toluene | Titanium oxides | Ruthenium | Colleges & universities | Chemical bonds | Electron density | Titanium dioxide | Direct conversion
Journal Article
ChemCatChem, ISSN 1867-3880, 07/2017, Volume 9, Issue 14, pp. 2610 - 2610
The Front Cover shows the transition state of the critical C−O scission step during the proton‐assisted dihydroxylation of cresol, a key step during the... 
hydrodeoxygenation | biomass upgrading | metal/support interface | supported catalysts | density functional theory | Ruthenium | Catalysts | Toluene | Catalytic activity | Nuclear fuels | Particle physics | Chemical bonds | Density functional theory | Cleavage | Electron density | Metal particles | Titanium dioxide | Direct conversion
Journal Article
Science, ISSN 0036-8075, 09/2014, Volume 345, Issue 6204, pp. 1599 - 1602
Journal Article
ChemCatChem, ISSN 1867-3880, 05/2017, Volume 9, Issue 9, pp. 1518 - 1518
The Front Cover visualizes the charge density difference in the transition state of methane activation over a single crystal Pd(1 0 0) surface. The charge... 
oxidation | density functional calculations | palladium | heterogeneous catalysis | computational chemistry | Catalysts | Single crystals
Journal Article
ChemCatChem, ISSN 1867-3880, 05/2017, Volume 9, Issue 9, pp. 1520 - 1520
The front cover artwork for Issue 9/2017 is provided by the University of Houston. The image shows the charge density difference in the transition state of... 
Methane | Palladium catalysts | Palladium | Models | Catalysts | Single crystals
Journal Article
ACS Nano, ISSN 1936-0851, 04/2015, Volume 9, Issue 4, pp. 4006 - 4016
The design of materials with spatially controlled chemical composition has potential advantages for wide-reaching applications that span energy to medicine.... 
MFI | Aluminum silicates | Surface chemistry | Aluminosilicates | Nanostructure | Porosity | Zeolites | Passivation
Journal Article
Chemistry - A European Journal, ISSN 0947-6539, 09/2016, Volume 22, Issue 45
Journal Article
ChemCatChem, ISSN 1867-3880, 03/2017, Volume 9, Issue 9
The shape selectivity of ZSM‐5 (MFI type) catalysts is ideal for the production of C6–C8 aromatics. Developing high‐performance zeolite catalysts with improved... 
Chemistry
Journal Article
ChemCatChem, ISSN 1867-3880, 07/2017, Volume 9, Issue 14
Journal Article
ACS Catalysis, ISSN 2155-5435, 04/2016, Volume 6, Issue 4, pp. 2287 - 2298
A van der Waals (vdW) corrected density functional theory (DFT) study of the methanol-to-DME reaction on H-ZSM-5 is conducted for both the associative and... 
pore confinement | Al siting | DFT | methanol-to-DME | acid strength | ZSM-5 | ZSM-S | TO-HYDROCARBONS | METHYLATION | AB-INITIO | CHEMISTRY, PHYSICAL | Al siting pore confinement | ACID SITES | DIMETHYL ETHER DME | FRAMEWORK | QUANTUM-MECHANICS | CATALYTIC CONVERSION | SPATIAL-DISTRIBUTION | MFI ZEOLITES
Journal Article
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