David has made significant contributions to the development of neutron diffraction and X-raypowder diffraction. Highlights include the comprehensive crystal-structure analysis of C60 (Buckminsterfullerene),[7] and the accelerated determination of molecular crystal structures through his computer program, DASH.[8] His theoretical work is based on the application of Bayesian probability theory in areas ranging from structural incompleteness to parametric data analysis.[1]
David's materials focus is in energy storage, beginning with his research on lithium batterycathodes. More recently, he has worked on lightweight hydrogen storage materials[9][10] such as reversible imide-amide systems.[11] Following his discovery of a new family of ammonia-decomposition catalysts, his main energy research interests are in materials that facilitate the safe and effective utilisation of ammonia as an energy vector.[1]
^David, William I. F.; Ibberson, Richard M.; Matthewman, Judy C.; Prassides, Kosmas; Dennis, T. John S.; Hare, Jonathan P.; Kroto, Harold W.; Taylor, Roger; Walton, David R. M. (1991). "Crystal structure and bonding of ordered C60". Nature. 353 (6340): 147–149. Bibcode:1991Natur.353..147D. doi:10.1038/353147a0. S2CID4345630.
^David, William I. F.; Shankland, Kenneth; van de Streek, Jacco; Pidcock, Elna; Motherwell, W. D. Samuel; Cole, Jason C. (2006). "DASH: a program for crystal structure determination from powder diffraction data". Journal of Applied Crystallography. 39 (6): 910–915. doi:10.1107/S0021889806042117.
^Xiong, Zhitao; Yong, Chaw Keong; Wu, Guotao; Chen, Ping; Shaw, Wendy; Karkamkar, Abhi; Autrey, Thomas; Jones, Martin Owen; Johnson, Simon R.; Edwards, Peter P.; David, William I. F. (2007). "High-capacity hydrogen storage in lithium and sodium amidoboranes". Nature Materials. 7 (2): 138–141. Bibcode:2008NatMa...7..138X. doi:10.1038/nmat2081. PMID18157135.
^Edwards, P.P.; Kuznetsov, V.L.; David, W.I.F.; Brandon, N.P. (2008). "Hydrogen and fuel cells: Towards a sustainable energy future". Energy Policy. 36 (12): 4356–4362. Bibcode:2008EnPol..36.4356E. doi:10.1016/j.enpol.2008.09.036.
^David, William I. F.; Jones, Martin O.; Gregory, Duncan H.; Jewell, Catherine M.; Johnson, Simon R.; Walton, Allan; Edwards, Peter P. (2007). "A Mechanism for Non-stoichiometry in the Lithium Amide/Lithium Imide Hydrogen Storage Reaction". Journal of the American Chemical Society. 129 (6): 1594–1601. doi:10.1021/ja066016s. PMID17243680.
