PUBLICATIONS
Papers which I consider highlights and/or have recently been published are listed below. A full list of my publications is available as a .pdf file here.
In addition, I have been funded via a number of grants from EPSRC and elsewhere, details of which are given at the bottom of this page (including links to final reports, where appropriate).
| TITLE | AUTHORS | REFERENCE |
| Neutron and X-ray total scattering study of hydrogen disorder in fully hydrated hydrogrossular, Ca3Al2(O4H4)3 | D A Keen, D S Keeble and T D Bennett | Phys. Chem. Miner. (Published online 2017) |
| Local-scale structures across the morphotropic phase boundary in PbZr1-xTixO3 | N Zhang, H Yokota, A M Glazer, S Gorfman, P A Thomas, W Ren and Z-G Ye | IUCrJ 5 73 (2017) |
| Liquid metal-organic frameworks | R Gaillac, P Pullumbi, K A Bayer, K W Chapman, D A Keen, T D Bennett and F-X Coudert | Nature Mater. 16 1149 (2017) |
| Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme | S Dajnowicz, R C Johnston, J M Parks, M P Blakeley, D A Keen, K L Weiss, O Gerlits, A Kovalevsky and T C Mueser | Nature Comm. 8 955 (2017) |
| Local structure study of the orbital order/disorder transition in LaMnO3 | P M M Thygesen, C A Young, E O R Beake, F D Romero, L D Connor, T E Profeen, A E Phillips, M G Tucker, M A Hayward, D A Keen and A L Goodwin | Phys Rev. B 95 174107 (2017) |
| Orbital dimer model for spin-glass state in Y2Mo2O7 | P M M Thygesen, J A M Paddison, R Zhang, K A Bayer, K W Chapman, H Y Playford, M G Tucker, D A Keen, M A Hayward and A L Goodwin | Phys. Rev. Lett. 118 067201 (2017) |
| Room Temperature Neutron Crystallography of Drug-Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100K | O Gerlits, D A Keen, M P Blakeley, J M Louis, I T Weber and A Kovalevsky | J. Med. Chem. 60 2018 (2017) |
| Emergence of Long-Range Order in BaTiO3 from Local Symmetry-Breaking Distortions | M S Senn, D A Keen, T C A Lucas, J A Hriljac and A L Goodwin | Phys. Rev. Lett. 116 207602 (2016) |
| Melt-Quenched Glasses of Metal-Organic Frameworks | T D Bennett, Y Yue, P Li, A Qiao, H Tao, N G Greaves, T RIchards, G I Lampronti, S A T Redfern, F Blanc, O K Farha, J T Hupp, A K Cheetham and D A Keen | J. Am. Chem. Soc. 138 3484 (2016) |
| Perovskites Take the Lead in Local Structure Analysis (Commentary) | D A Keen | IUCrJ 3 8 (2016) |
| The Crystallography of Correlated Disorder | D A Keen and A L Goodwin | Nature 521 303 (2015) |
| Crystallography and Physics | D A Keen | Physica Scripta 89 128003 (2014) |
| The Missing Boundary in the Phase Diagram of PbZr1-xTixO3 | N Zhang, H Yokota, A M Glazer, Z Ren, D A Keen, D S Keeble, P A Thomas and Z-G Ye | Nature Comm. 5 5231 (2014) |
| Coupling of the local defect and magnetic structure of wustite, Fe1-xO | P J Saines, M G Tucker, D A Keen, A K Cheetham and A L Goodwin | Phys. Rev. B 88 134418 (2013) |
| Joint X-ray/neutron crystallographic study of HIV-1 protease with clinical inhibitor amprenavir – insights for drug design | I T Weber, M J Waltman, M Mustyakimov, M P Blakeley, D A Keen, A K Ghosh, P Langan and A Y Kovalevsky | Journal of Medicinal Chemistry 56 5631-5635 (2013) |
| Bifurcated polarization rotation in bismuth-based piezoelectrics | D S Keeble, E R Barney, D A Keen, M G Tucker, J Kreisel and P A Thomas | Adv. Funct. Mater. 23 185-190 (2013) |
| Amorphization of the prototypical zeolitic imidazolate framework ZIF-8 by ball-milling | S Cao, T D Bennett, D A Keen, A L Goodwin and A K Cheetham | Chem. Comm. 48 7805-7807 (2012) |
| Dynamic disorder and the α-β phase transition in quartz-type FePO4 at high temperature investigated by total neutron scattering, Raman spectroscopy, and density functional theory | G M Bhalerao, P Hermet, J Haines, O Cambon, D A Keen, M G Tucker, E Buixaderas, P Simon | Phys. Rev. B 86 134104 (2012) |
| Facile mechanosynthesis of amorphous zeolitic imidazolate frameworks | T D Bennett, S Cao, J C Tan, D A Keen, E G Bithell, P J Beldon, T Friscic and A K Cheetham | J. Am. Chem. Soc. 133 14546 (2011) |
| The elusive hydronium ion is found in an enzyme exchanging roles with a proton at lower pH | A Y Kovalevsky, B L Hanson, S A Mason, T Yoshida, S Z Fisher, M Mustyakimov, V T Forsyth, M P Blakeley, D A Keen and P Langan | Angew. Chem. Int. Ed. 50 7520 (2011) |
| Thermal amorphization of Zeolitic Imidazolate frameworks | T D Bennett, D A Keen, J-C Tan, E R Barney, A L Goodwin, A K Cheetham | Angew. Chem. Int. Ed. 50 3067 (2011) |
| Diffraction study of pressure-amorphized ZrW2O8 using in situ and recovered samples | D A Keen, A L Goodwin, M G Tucker, J A Hriljac, T D Bennett, M T Dove, A K Kleppe, A P Jephcoat and M Brunelli | Phys. Rev. B 83 064109 (2011) |
| Hydrogen-bonding transition and isotope-dependent negative thermal expansion in H3Co(CN)6 | D A Keen, M T Dove, J S O Evans, A L Goodwin, L Peters and M G Tucker | J. Phys. Condensed Matter 22 404202 (2010) |
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Metal ion roles and the movement of hydrogen during reaction catalyzed by D-Xylose Isomerase: A joint X-ray and neutron diffraction study |
A Y Kovalevsky, L Hanson, S Z Fisher, M Mustyakimov, S A Mason, V T Forsyth, M P Blakeley, D A Keen, T Wagner, H L Carrell, A K Katz, J P Glusker and P Langan | Structure 18 688-699 (2010) |
| Nanoporous structure and medium-range order in synthetic amorphous calcium carbonate | A L Goodwin, F M Michel, B L Phillips, D A Keen, M T Dove and R J Reeder | Chemistry of Materials 22 3197-3205 (2010) |
| Structure and properties of an amorphous metal-organic framework | T D Bennett, A L Goodwin, M T Dove, D A Keen, M G Tucker, E R Barney, A K Soper, E G Bithell, J-C Tan and A K Cheetham | Phys. Rev. Lett. 104 115503 (2010) |
| Topologically ordered amorphous silica obtained from the collapsed siliceous zeolite, Silicalite-1-F: a step towards "perfect" glasses | J Haines, C Levelut, A Isambert, P Hebert, S Kohara, D A Keen, T Hammouda and D Andrault | J. Am. Chem. Soc. 131 12333-8 (2009) |
| Large negative linear compressibility of Ag3[Co(CN)6] | A L Goodwin, D A Keen and M G Tucker | Proc. Nat. Acad. Sci. (USA) 105 18708-18713 (2008) |
| Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues | A L Goodwin, D A Keen, M G Tucker, M T Dove, L Peters and J S O Evans | J. Am. Chem. Soc. 130 9660-9661 (2008) |
| Colossal positive and negative thermal expansion in the framework material Ag3[Co(CN)6] | A L Goodwin, M Calleja, M J Conterio, M T Dove, J S O Evans, D A Keen, L Peters and M G Tucker | Science 319 794-797 (2008) |
| Ferroelectric nanoscale domains and the 905K phase transition in SrSnO3: A neutron total scattering study | A L Goodwin, S A T Redfern, M T Dove, D A Keen and M G Tucker | Phys. Rev. B 76 174114 (2007) |
| A structural description of pressure induced amorphisation in ZrW2O8 | D A Keen, A L Goodwin, M G Tucker, M T Dove, J S O Evans, W A Crichton and M Brunelli | Phys. Rev. Lett. 98 225501 (2007) |
| Ionic diffusion within the a* and b phases of Ag3SI | S Hull, D A Keen, P A Madden and M Wilson | J. Phys.: Condensed Matter 19 406214 (2007) |
| Local structure in ZrW2O8 from neutron total scattering | M G Tucker, D A Keen, J S O Evans and M T Dove | J. Phys.: Condensed Matter 19 335215 (2007) |
| RMCProfile: Reverse Monte Carlo for polycrystalline materials | M G Tucker, D A Keen, M T Dove, A L Goodwin and Q Hui | J. Phys.: Condensed Matter 19 335218 (2007) |
| MnO spin-wave dispersion curves from neutron powder diffraction data | A L Goodwin, M T Dove, M G Tucker and D A Keen | Phys. Rev. B. 75 075423 (2007) |
| SXD - The single crystal diffractometer at the ISIS Spallation Neutron Source | D A Keen, M J Gutmann and C C Wilson | J. Appl. Cryst 39 714-722 (2006) |
| The magnetic structure of MnO at 10K from neutron total scattering | A L Goodwin, M G Tucker, M T Dove and D A Keen | Phys. Rev. Lett. 96 047209 (2006) |
| High-temperature structural disorder, phase transitions and piezoelectric properties of GaPO4 | J Haines, O Cambon, N Prudhomme, G Fraysse, D A Keen, L C Chapon and M G Tucker | Phys. Rev. B 73 014103 (2006) |
| Model-independent extraction of dynamical information from powder diffraction data | A L Goodwin, M G Tucker, E R Cope, M T Dove and D A Keen | Phys. Rev. B 72 214304 (2005) |
| Negative thermal expansion in ZrW2O8: mechanisms, rigid unit modes and neutron total scattering | M G Tucker, A L Goodwin, M T Dove, D A Keen, S A Wells and J S O Evans | Phys. Rev. Lett. 95 255501 (2005) |
| Refinement of the Si-O-Si bond angle distribution in vitreous silica | M G Tucker, D A Keen, M T Dove and K Trachenko | J. Phys.: Condensed Matter 17 S67-S75 (2005) |
| Phonons from powder diffraction: a quantitative model-independent evaluation | A. L. Goodwin, M. G. Tucker, M. T. Dove and D. A. Keen | Phys. Rev. Lett. 93 (2004) 075502 |
| The nature of the superionic transition in Ag+ and Cu+ halides | D. A. Keen, S. Hull, A. C. Barnes, P. Berastegui, W. A. Crichton, P. A. Madden, M. G. Tucker and M. Wilson | Phys. Rev. B 68 (2003) 014117 |
| Disordering phenomena in superionic conductors | D. A. Keen | J. Phys.: Condensed Matter 14 (2002) R819-R857 |
| Structural disorder and loss of piezoelectric properties in a-quartz at high temperature | J. Haines, O. Cambon, D. A. Keen, M. G. Tucker and M. T. Dove | Applied Physics Letters 81 (2002) 2968-2970 |
| Diffuse neutron scattering from crystalline materials | V. M. Nield and D. A. Keen | Oxford University Press, Oxford (2001) |
| A comparison of various commonly used correlation functions for describing total scattering | D. A. Keen | J. Appl. Cryst. 34 (2001) 172-7 |
| Simultaneous analysis of changes in long-range and short-range structural order at the displacive phase transition in quartz | M. G. Tucker, M. T. Dove and D. A. Keen | J. Phys.: Condensed Matter 12 (2000) L723-30 |
| Local structures of amorphous and crystalline phases of silica, SiO2, by neutron total scattering | D. A. Keen and M. T. Dove | J. Phys.: Condensed Matter 11 (1999) 9263-73 |
| Pressure-induced phase transitions in AgCl, AgBr, and AgI | S. Hull and D. A. Keen | Phys. Rev. B 59 (1999) 750-61 |
| Superionic behaviour in copper (I) iodide at elevated pressures and temperatures | S. Hull, D. A. Keen, W. Hayes and N. J. G. Gardner | J. Phys.: Condensed Matter 10 (1998) 10941-54 |
| Refining disordered structural models using reverse Monte Carlo methods: Application to vitreous silica | D. A. Keen | Phase Transitions 61 (1997) 109-24 |
| Structural evidence for a fast-ion transition in the high-pressure rocksalt phase of silver iodide | D. A. Keen, S. Hull, W. Hayes and N. J. G. Gardner | Phys. Rev. Lett.77 (1996) 4914-17 |
| The high-temperature structural behaviour of copper(I) iodide | D. A. Keen and S. Hull | J. Phys.: Condensed Matter 7 (1995) 5793-804 |
| High-pressure polymorphism of the copper(I) halides: a neutron diffraction study to ~10GPa | S. Hull and D. A. Keen | Phys. Rev. B 50 (1994) 5868-85 |
| Structural changes in silver bromide at the melting point | V. M. Nield, D. A. Keen, W. Hayes and R. L. McGreevy | J. Phys.: Condensed Matter 4 (1992) 6703-14 |
| Determination of disordered magnetic structures by RMC modelling of neutron diffraction data | D. A. Keen and R. L. McGreevy | J. Phys.: Condensed Matter 3 (1991) 7383-94 |
| Structural modelling of glasses using reverse Monte Carlo simulation | D. A. Keen and R. L. McGreevy | Nature 344 (1990) 423-5 |
| Magnetoresistance measurements on the magnetic semiconductor Nd0.5Pb0.5MnO3 | R. M. Kusters, J. Singleton, D. A. Keen, R. L. McGreevy and W. Hayes | Physica B 155 (1989) 362-5 |
EPSRC GRANTS
GR/M05362 Dove (PI) and Keen, ‘The structure of disordered crystals’ Oct’98-Sept’01.GR/M38711 Hull (PI) and Keen, ‘Structure-property relationships in Ag and Cu-based superionic conductors’ Jan’99-Dec’01.
GR/M52243 Keen(PI), Howard, Nelmes, Pulham, Radaelli, Redfern, Florence and Wilson, ‘A new instrument for neutron time-of-flight single crystal diffraction’ Oct’99-Sept’02.
AF/001251 Keen (PI) Advanced Research Fellowship ‘Diffraction studies of structural disorder at high pressure and high temperature’ Dec’00-Nov’05.
GR/R47745 Dove (PI) and Keen, ‘Advances in total scattering methods for crystalline materials’ Oct'01-Sept'04
EP/F021666/1 (Next Generation Facility Users) Wilson (PI) and Keen ‘Advanced applications of SXD in structural evolution in molecular systems, and towards chemical applications of LMX’ £128,454, Oct’07-Sept’11
CCLRC Facility Development Grant
FDPG/020 Keen, Dalgliesh, Gutmann, Langridge, Marshall, Radaelli and Wilson, 'Towards enhanced instrument performance using compact neutron focusing devices' 2004-2006
Royal Society International Joint Project Grant
Haines (Montpellier, France) and Keen, 'Influence of structural disorder on high temperature piezoelectric performance' 2004-2006
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