A density functional theory study for the adsorption of various gases on a caesium-exchanged trapdoor chabazite

Jin Shang; Gang Li; Paul A Webley; Jefferson Z Liu

Journal article

A density functional theory study for the adsorption of various gases on a caesium-exchanged trapdoor chabazite

Jin Shang, Gang Li, Paul A Webley, Jefferson Z Liu

Computational Materials Science | ELSEVIER | Published : 2016

DOI: 10.1016/j.commatsci.2016.05.040

University of Melbourne Researchers

Zhe Liu Author Mechanical Engineering

Gang Li Author Chemical Engineering

Paul Webley Author Chemical Engineering

Grants

Awarded by Australian Research Council

Awarded by Australian Research Council Discovery Early Career Researcher Award

Funding Acknowledgements

This research was undertaken with the assistance of resources from the National Computational Infrastructure (NCI), which is supported by the Australian Government. J.S., P.A.W., and J.Z.L acknowledge the Australian Research Council for providing the funding (DP2013000024). G.L. is the recipient of an Australian Research Council Discovery Early Career Researcher Award (DE140101824).