Computational-based catalyst design for thermochemical transformations

Catalysis Center for Energy Innovation for Biomass Processing: Research Strategies and Goals

(2010) Dionisios G. Vlachos et al.   CATALYSIS LETTERS

What Controls Au Nanoparticle Dispersity during Growth?

(2010) Giannis Mpourmpakis et al.   NANO LETTERS

Identification of Descriptors for the CO Interaction with Metal Nanoparticles

(2010) Giannis Mpourmpakis et al.   NANO LETTERS

Using first principles to predict bimetallic catalysts for the ammonia decomposition reaction

(2010) Danielle A. Hansgen et al.   Nature Chemistry

The Effects of the MgO Support and Alkali Doping on the CO Interaction with Au

(2009) Giannis Mpourmpakis et al.   Journal of Physical Chemistry C

Correlating Particle Size and Shape of Supported Ru/γ-Al2O3Catalysts with NH3Decomposition Activity

(2009) Ayman M. Karim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Growth Mechanisms of Metal Nanoparticles via First Principles

(2009) Giannis Mpourmpakis et al.   PHYSICAL REVIEW LETTERS

Insights into the Early Stages of Metal Nanoparticle Formation via First-Principle Calculations: the Roles of Citrate and Water

(2008) Giannis Mpourmpakis et al.   LANGMUIR