BibTex format

author = {Bailey, CL and Mukhopadhyay, S and Wander, A and Searle, BG and Harrison, NM},
doi = {1/012004},
journal = {Journal of Physics: Conference Series},
title = {First principles characterisation of aluminium trifluoride catalysts},
url = {},
volume = {117},
year = {2008}

RIS format (EndNote, RefMan)

AB - The recently discovered high surface area AlF3 catalyst is characterised with respect to surface composition and structure using calculations based on density functional theory. Under typical reaction conditions the surfaces are found to expose five fold coordinated Al reaction centres and to preferentially adsorb water. The acidic centres are probed using NH3 adsorption which binds strongly indicating strong Lewis acidity. The predicted temperature probed desorption spectrum has features from competing surfaces and features due to strong intermolecular interactions, which are used to interpret the observed spectrum. © 2008 IOP Publishing Ltd.
AU - Bailey,CL
AU - Mukhopadhyay,S
AU - Wander,A
AU - Searle,BG
AU - Harrison,NM
DO - 1/012004
PY - 2008///
SN - 1742-6588
TI - First principles characterisation of aluminium trifluoride catalysts
T2 - Journal of Physics: Conference Series
UR -
VL - 117
ER -