First principles based design of a Ni catalyst with improved stability

بواسطة Jing, X., Saeys, M.
منشور في 2014

First principles study of the effect of carbon and boron on the activity of a Ni catalyst

بواسطة Xu, J., Saeys, M.
منشور في 2014

Improving the coking resistance of Ni-based catalysts by promotion with subsurface boron

بواسطة Xu, J., Saeys, M.
منشور في 2014

Construction of an ab initio kinetic model for industrial ethane pyrolysis

بواسطة Sun, W., Saeys, M.
منشور في 2014

First principles study of the coking resistance and the activity of a boron promoted Ni catalyst

بواسطة Xu, J., Saeys, M.
منشور في 2014

First principles study of the reaction of formic and acetic acids with hydroxyl radicals

بواسطة Sun, W., Saeys, M.
منشور في 2014

First principles study of the stability and the formation kinetics of subsurface and bulk carbon on a Ni catalyst

بواسطة Xu, J., Saeys, M.
منشور في 2014

Modeling industrial ethane steam cracking from first principles

بواسطة Sun, W., Saeys, M.
منشور في 2014

First principle reaction path analysis of the Fischer-Tropsch synthesis mechanism. Effect of CO coverage on the kinetics of the CO insertion mechanism

بواسطة Zhuo, M., Saeys, M.
منشور في 2014

Coking mechanism and promoter design for Ni-based catalysts: A first principles study

بواسطة Jing, X., Saeys, M.
منشور في 2014

Aryl Fluoride Reductive Elimination from PdII Complexes: A Descriptor to Guide Ligand Selection

بواسطة Cui, L., Saeys, M.
منشور في 2014

Effect of the CO coverage on the Fischer-Tropsch synthesis mechanism on cobalt catalysts

بواسطة Zhuo, M., Borgna, A., Saeys, M.
منشور في 2014

Surface-potential solutions to the Pao-Sah voltage equation

بواسطة Shangguan, W.Z., Saeys, M., Zhou, X.
منشور في 2014

Ab initio reaction path analysis for the initial hydrogen abstraction from organic acids by hydroxyl radicals

بواسطة Sun, W., Yang, L., Yu, L., Saeys, M.
منشور في 2014

Surface reconstruction of MoS2 to Mo2S3

بواسطة Tiwari, R.K., Yang, J., Saeys, M., Joachim, C.
منشور في 2014

Improving the stability of cobalt Fischer-Tropsch catalysts by boron promotion

بواسطة Saeys, M., Tan, K.F., Chang, J., Borgna, A.
منشور في 2014

Evaluating the structure of catalysts using core-level binding energies calculated from first principles

بواسطة Trinh, Q.T., Tan, K.F., Borgna, A., Saeys, M.
منشور في 2014

Effect of boron promotion on the stability of cobalt Fischer-Tropsch catalysts

بواسطة Tan, K.F., Chang, J., Borgna, A., Saeys, M.
منشور في 2014

Improving oxygen reduction efficiency in direct methanol fuel cells through structured catalyst design

بواسطة Yang, J., Xu, J., Saeys, M., Lee, J.Y.
منشور في 2014

Controlled manipulation of CO oxidation rate on Pt/anatase via the schwab effect

بواسطة Seebauer, E.G., Saeys, M., Chua, Y.P.G.
منشور في 2014