Find information on common issues.
Ask questions and find answers from other users.
Suggest a new site feature or improvement.
Check on status of your tickets.
Computational Catalysis with Density Functional Theory
08 Aug 2018 | Contributor(s):: Kevin Greenman, Peilin Liao
Heterogeneous catalysis is used in a significant portion of production processes in the industrialized world, which makes maximizing the efficiency of catalysts a high priority. However, the immense number of candidates for new catalysts precludes the possibility of testing all of them by...
Computational Catalysis with DFT
01 Aug 2018 | Contributor(s):: Kevin Greenman, Peilin Liao
DFT tool for studying heterogeneous catalysis
Tailoring Biomass to Fit the Biofuels Pipeline
10 Oct 2016 | | Contributor(s):: Maureen McCann, Nicholas C. Carpita
Second-generation biofuels will be derived from lignocellulosic biomass using biological catalysts to convert the carbon in plant cell wall polysaccharides to ethanol or other biofuels. The Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio) is a DOE-funded Energy Frontier...
[Illinois] Metal and Semiconductor Nanoparticles Supported on Graphene for Energy Conversion and Heterogeneous Catalysis
17 Dec 2013 | | Contributor(s):: M. Samy El Shall
Graphene has attracted great interest for a fundamental understanding of its unique structural and electronic properties and also for important potential applications in nanoelectronics and devices. The combination of highest mobility, thermal, chemical, and mechanical stability with the high...
Surface structure and composition of high-surface-area molybdenum nitrides
02 Feb 2012 | | Contributor(s):: Brian Demczyk, j. G. Choi, L. T. Thompson
In this work, we have employed high-resolutiontransmission electron microscopy coupled with Fourier analysis, and X-ray photoelectron spectroscopy todetermine the near-surface structures and compositions of a series of molybdenum nitride catalysts.