Tuesday, April 16, 2024

Peer-Reviewed Publications

[119] Homogeneous Organic Crystal Nucleation Rates in Solution from the Perspective of Chemical Reaction Kinetics
S. L. M. Schroeder
Crystals 14 (2024) 349.
DOI:10.3390/cryst14040349

[118] Immobilisation of Chromium in Magnesium Carbonate Minerals
A. M. Lacinska, K. Bateman, S. Chenery, S. J. Kemp, Th. Liddy, J. C. Rushton, D. Saha & S. L. M. Schroeder
Mineralogical Magazine 88 (2024) in press.
DOI:10.1180/mgm.2023.91

[117] VerSoX B07-B: A High-Throughput XPS and Ambient Pressure NEXAFS Beamline at Diamond Light Source
D. C. Grinter, P. Ferrer-Escorihuela, F. Venturini, M. A. van Spronsen, A. I. Large, S. Kumar, M. Jaugstetter, A. Iordachescu, A. Watts, S. L. M. Schroeder, A. B. Kroner, F. Grillo, S. Francis, P. Webb, M. Hand, M. Hillman & G. Held
Journal of Synchrotron Radiation 31 (2024) in press.
DOI:10.1107/S1600577524001346

[116] Auto-agglomeration of dry ibuprofen powder under mechanical vibration: Effect of particle morphology and surface properties
S. Bibiceva, S. L. M. Schroeder & A. Hassanpour
Powder Technology 433 (2024) 119172.
DOI:10.1016/j.powtec.2023.119172

[115] Green Alternatives to Zinc Dialkyldithiophosphates: Vanadium Oxide Based Additives
A. Straiton, Th. Kathyola, C. Sweeney, J. Parish, E. A. Willneff, S. L. M. Schroeder, A. Morina, A. Neville, J. Smith & A. Johnson
ACS Applied Engineering Materials 1 (2023) 2916-2925.
DOI: 10.1021/acsaenm.3c00425

[114] X-ray Absorption Spectroscopy as Process Analytical Technology: Reaction Studies for the Manufacture of Sulfonate-Stabilized Calcium Carbonate Particles
Th. Kathyola, S.-Y. Chang, E. A. Willneff, C. Willis, G. Cibin, P. Wilson, A. B. Kroner, E. J. Shotton, P. Dowding & S. L. M. Schroeder
Industrial & Engineering Chemistry Research 62 (2023) 16198–16206.
DOI: 10.1021/acs.iecr.3c02540

[113] The Design of Relativistic Ultrafast Electron Diffraction and Imaging (RUEDI) Facility for Materials in Extremes
Y. Murooka, W. Bryan, J. Clarke, M. Ellis, A. I. Kirkland, S. Maskell, J. McKenzie, B. L. Mehdi, R. J. D. Miller, T. C. Q. Noakes, I. Robinson, S. L. M. Schroeder, J. van Thor, C. Welsch, N. D. Browning
Microscopy and Microanalysis 29 (Suppl I) (2023) 1487-1488.
DOI: 10.1093/micmic/ozad067.764

[112] Continuous-Flow Laboratory SAXS for In Situ Determination of the Impact of Hydrophilic Block Length on Spherical Nano-object Formation during Polymerization Induced Self-Assembly
J. T. Guild, S. T. Knox, S. B. Burholt, E. Hilton, N. J. Terrill, S. L. M. Schroeder, N. J. Warren
Macromolecules 56 (2023) 6426-6435.
DOI: 10.1021/acs.macromol.3c00585

[111] Intermediates during the Nucleation of Platinum Nanoparticles by Reaction with Ethylene Glycol: Operando XAS Studies with a Microfluidic Cell
S. Britto, C. Parlett, S. Bartlett, J. Elliott, K. Ignatyev, S. L. M. Schroeder
Journal of Physical Chemistry C 127 (2023) 8631-8639
DOI: 10.1021/acs.jpcc.2c08749

[110] CrystalGrowthTracker: A Python package to analyse crystal face advancement rates from time lapse synchrotron radiography
J. Leng, J. H. Pickering, S. L. M. Schroeder, G. Das
The Journal of Open Source Software 7 (2022) 4333.
DOI: 10.21105/joss.04333

[109] Determination of H-atom Positions in Organic Crystal Structures by NEXAFS Combined with Density Functional Theory: A Study of Two-Component Systems Containing Isonicotinamide
P. Edwards, L. K. Saunders, D. Grinter, P. Ferrer-Escorihuela, G. Held, E. J. Shotton, S. L. M. Schroeder
Journal of Physical Chemistry A 126 (2022) 2889–2898.
DOI: 10.1021/acs.jpca.2c00439

[108] The Design and Operation of a New Relativistic Ultrafast Electron Diffraction and Imaging (RUEDI) National Facility in the UK
N. D. Browning, W. Bryan, J. Clarke, M. Ellis, A. I. Kirkland, S. Maskell, J. McKenzie, B. L. Mehdi, R. J. D. Miller, Y. Murooka, T. C. Q. Noakes, I. Robinson, S. L. M. Schroeder, J. van Thor, C. Welsch
Microscopy and Microanalysis 28 (2022) 2764-2765
DOI: 10.1017/S1431927622010406

[107] High Speed Grating Interferometry
S. Marathe, R. Ziesche, G. Das, S. L. M. Schroeder, E. Baird, C. Rau
Proc. SPIE 11840 (2021) 91-97.
DOI: 10.1117/12.2598481

[106] Operando and High-throughput multicscale-tomography
C. Rau, S. Marathe, A. J. Bodey, M. Storm, D. Batey, S. Cipiccia, P. Li, R. Ziesche, M. Al-Hada, S. L. M. Schroeder, G. Das, A. Goswami
Proc. SPIE 11840 (2021) 118401E.
DOI: 10.1117/12.2598470

[105] Proton Transfer on the Edge of the Salt/Co-Crystal Continuum: X-ray Photoelectron Spectroscopy (XPS) of Three Isonicotinamide Salts
P. Edwards, L. K. Saunders, A. Pallipurath, A. J. Britton, E. A. Willneff, E. J. Shotton, S. L. M. Schroeder
Crystal Growth & Design 21 (2021) 6332-6340.
DOI: 10.1021/acs.cgd.1c00807

[104] Bulk and Surface Conformations in Solid-State Lovastatin: Spectroscopic and Molecular Dynamics Studies
A. R. Pallipurath, J. M. Skelton, A. Britton, E. A. Willneff, S. L. M. Schroeder
Crystals 11 (2021) 509.
DOI: 10.3390/cryst11050509

[103] Versailles Project on Advanced Materials and Standards interlaboratory study on intensity calibration for x-ray photoelectron spectroscopy instruments using low-density polyethylene
B. P. Reed, D. J. H. Cant, S. J. Spencer, A. J. Carmona-Carmona, A. Bushell, A. Herrera-Gómez, A. Kurokawa, A. Thissen, A. G. Thomas, A. J. Britton, A. Bernasik, A. Fuchs, A. P. Baddorf, B. Bock, B. Theilacker, B. Cheng, D. G. Castner, D. J. Morgan, D. Valley, E. A. Willneff, E. F. Smith, E. Nolot, F. Xie, G. Zorn, G. C. Smith, H. Yasufuku, J. L. Fenton, J. Chen, J. D. P. Counsell, J. Radnik, K. J. Gaskell, K. Artyushkova, L. Yang, L. Zhang, M. Eguchi, M. Walker, M. Hajdyła, M. M. Marzec, M. R. Linford, N. Kubota, O. Cortazar-Martínez, P. Dietrich, R. Satoh, S. L. M. Schroeder, T. G. Avval, T. Nagatomi, V. Fernandez, W. Lake, Y. Azuma, Y. Yoshikawa, A. G. Shard
Journal of Vacuum Science & Technology A 38 (2020) 063208.
DOI: 10.1116/6.0000577

[102] Mechanically Induced Amorphization of Diaqua-bis(Omeprazolate)-Magnesium Dihydrate
H. Abouhakim, M. J. Quayle, S. T. Norberg, S. O. Nilsson Lill, M. Asachi, S. L. M. Schroeder, F. L. Muller, A. Hassanpour
Crystal Growth & Design 20 (2020) 6057–6068.
DOI: 10.1021/acs.cgd.0c00770

[101] Hydrophilic and Hydrophobic Interactions in Concentrated Aqueous Imidazole Solutions: A Neutron Diffraction and Total X-ray Scattering Study
L. H. Al-Madhagi, S. K. Callear, S. L. M. Schroeder
Physical Chemistry Chemical Physics 22 (2020) 5105-5113.
DOI: 10.1039/C9CP05993H

[100] Core Level Spectroscopies Locate Hydrogen in the Proton Transfer Pathway – Identifying Quasi-Symmetrical H-Bonds in the Solid State
J. S. Stevens, S. Coultas, C. Jaye, D. A. Fischer, S. L. M. Schroeder
Physical Chemistry Chemical Physics 22 (2020) 4916-4923.
DOI: 10.1039/C9CP05677G

[99] Development of synchrotron pink beam x-ray grating interferometer at the Diamond Light source I13-2 beamline
S. Marathe, M. Storm, V. S. C. Kuppilli, R. Harrison, G. Das, S. L. M. Schroeder, S. Cipiccia, F. Döring, C. David, C. Rau
Proc. SPIE 11113 (2019) 1111319.
DOI: 10.1117/12.2530698

[98] Fast Multi-scale imaging using the Beamline I13L at the Diamond Light Source
C. Rau, M. Storm, S. Marathe, A. J. Bodey, M. Zdora, S. Cipiccia, D. Batey, X. Shi, S. L. M. Schroeder, G. Das, M. Loveridge, R. Ziesche, B. Connolly
Proc. SPIE 11113 (2019) 111130P.
DOI: 10.1117/12.2543405

[97] A Versatile Liquid-Jet/Sessile Droplet System for Operando Studies of Reactions in Liquid Dispersions and Solutions by X-ray Absorption Spectroscopy
S.-Y. Chang, Th. Kathyola, E. A. Willneff, C. Willis, P. Wilson, P. Dowding, G. Cibin, A. B. Kroner, E. J. Shotton & S. L. M. Schroeder
Reaction Chemistry & Engineering 4 (2019) 679-687.
DOI: 10.1039/C8RE00207J

[96] X-ray Raman scattering: a new in situ probe of molecular structure during nucleation and crystallization from liquid solutions
L. H. Al-Madhagi, S.-Y. Chang, M. Balasubramanian, A. B. Kroner, E. J. Shotton, E. A. Willneff, B. Mishra & S. L. M. Schroeder
CrystEngComm 20 (2018) 6871-6884.
DOI: 10.1039/C8CE00929E

[95] The Significance of Bromide in the Brust-Schiffrin Synthesis of Thiol Protected Gold Nanoparticles
S. G. Booth, A. Uehara, S-Y. Chang, C. La Fontaine, T. Fujii, Y. Okamoto, T. Imai, S. L. M. Schroeder & R. A. W. Dryfe
Chemical Science 8 (2017) 7954-7962.
DOI: 10.1039/C7SC03266H

[94] The Organic and the Third Phase in the System HNO3/TBP/n-dodecane: No Reverse Micelles
P. Ivanov, J. Mu, L. Leay, S.-Y. Chang, C. A. Sharrad, A. J. Masters & S. L. M. Schroeder
Solvent Extraction and Ion Exchange 35 (2017) 251-265.
DOI: 10.1080/07366299.2017.1336048

[93] In situ XAFS Study of Palladium Electrodeposition at the Liquid/Liquid Interface
S. G. Booth, S.-Y. Chang, A. Uehara, C. La Fontaine, G. Cibin, S. L. M. Schroeder & R. A. W. Dryfe
Electrochimica Acta 235 (2017) 251-261.
DOI: 10.1016/j.electacta.2017.03.059

[92] Redox and Ligand Exchange during the Reaction of Tetrachloroaurate with Hexacyanoferrate(II) at a Liquid-Liquid Interface: Voltammetry and X-ray Absorption Fine-Structure Studies
A. Uehara, S.-Y. Chang, S. G. Booth, S. L. M. Schroeder, J. F. W. Mosselmans & R. A. W. Dryfe
Electrochimica Acta 190 (2016) 997-1006.
DOI: 10.1016/j.electacta.2015.12.108

[91] Detection and Characterisation of Sub-Critical Nuclei during Reactive Pd Metal Nucleation by X-ray Absorption Spectroscopy
S.-Y. Chang, Y. Gründer, S. G. Booth, L. B. Molleta, A. Uehara, J. F. W. Mosselmans, G. Cibin, V.-T. Pham, L. Nataf, R. A. W. Dryfe & S. L. M. Schroeder
CrystEngComm 18 (2016) 674-682.
DOI: 10.1039/C5CE01883H

[90] Automated analysis of XANES: A feasibility study of Au reference compounds
S.-Y. Chang, L. B. Molleta, S. G. Booth, A. Uehara, J. F. W. Mosselmans, K. Ignatyev, R. A. W. Dryfe, S. L .M. Schroeder
Journal of Physics: Conference Series 712 (2016) 012070.
DOI: 10.1088/1742-6596/712/1/012070

[89] Energy dispersive-EXAFS of Pd nucleation at a liquid/liquid interface
S.-Y. Chang, S. G. Booth, A. Uehara, J. F. W. Mosselmans, G. Cibin, V.-T. Pham, L. Nataf, R. A. W. Dryfe and S. L. M. Schroeder
Journal of Physics: Conference Series 712 (2016) 012058.
DOI: 10.1088/1742-6596/712/1/012058

[88] The Structure of p-Aminobenzoic Acid in Water: Studies Combining UV-Vis, NEXAFS and RIXS Spectroscopies
A. Gainar, J. S. Stevens, E. Suljoti, J. Xiao, R. Golnak, E. F. Aziz, S. L. M. Schroeder
Journal of Physics: Conference Series 712 (2016) 012034.
DOI: 10.1088/1742-6596/712/1/012034

[87] NEXAFS Chemical State and Bond Lengths of p-Aminobenzoic Acid in Solution and Solid State
J. S. Stevens, A. Gainar, E. Suljoti, J. Xiao, R. Golnak, E. F. Aziz, S. L. M. Schroeder
Journal of Physics: Conference Series 712 (2016) 012136.
DOI: 10.1088/1742-6596/712/1/012136

[86] NEXAFS and XPS of p-Aminobenzoic Acid Polymorphs: The Influence of Local Environment
J. S. Stevens, A. Gainar, C. Jaye, D. A. Fischer, S. L. M. Schroeder
Journal of Physics: Conference Series 712 (2016) 012133.
DOI: 10.1088/1742-6596/712/1/012133

[85] Electrochemical Insight into the Brust-Schiffrin Synthesis of Au Nanoparticles
A. Uehara, S. G. Booth, S.-Y. Chang, S. L. M. Schroeder, T. Imai, T. Hashimoto, J. F. W. Mosselmans & R. A. W. Dryfe
Journal of the American Chemical Society 137 (2015) 15135–15144.
DOI: 10.1021/jacs.5b07825

[84] NEXAFS Sensitivity to Bond Lengths in Complex Molecular Materials: A Study of Crystalline Saccharides
A. Gainar, J. S. Stevens, C. Jaye, D. A. Fischer & S. L. M. Schroeder
Journal of Physical Chemistry B 119 (2015) 14373–14381.
DOI: 10.1021/acs.jpcb.5b07159

[83] Intermolecular Bonding of Hemin in Solution and in Solid State Probed by N K-edge X-ray Spectroscopies
R. Golnak, J. Xiao, K. Atak, J. S. Stevens, A. Gainar, S. L. M. Schroeder & E. F. Aziz
Physical Chemistry – Chemical Physics 17 (2015) 29000-29006.
DOI: 10.1039/C5CP04529K

[82] Fenton-Like Oxidation of 4-Chlorophenol: Homogeneous or Heterogeneous?
C.-C. Kuan, S.-Y. Chang, S. L. M. Schroeder
Industrial & Engineering Chemistry Research 54 (2015) 8122–8129.
DOI: 10.1021/acs.iecr.5b02378

[81] Gold Deposition at a Free-Standing Liquid/Liquid Interface, Evidence for the Formation of Au(I) by Microfocus X-ray Spectroscopy (XRF and XAFS) and Cyclic Voltammetry
S. G. Booth, A. Uehara, S.-Y. Chang, J. F. W. Mosselmans, S. L. M. Schroeder, R. A. W. Dryfe
Journal of Physical Chemistry C 119 (2015) 16785–16792.
DOI: 10.1021/acs.jpcc.5b05127

[80] Synthesis of Polyurea-Polyether Core Shell Nanoparticles via Spontaneous Nanoprecipitation
P. Locatelli, S. Woutters, C. Lindsay, S. L. M. Schroeder, J. H. Hobdell & A. Saiani
RSC Advances 5 (2015) 41668-41676.
DOI: 10.1039/c5ra03662c

[79] Sustainable Natural Adsorbents for Heavy Metal Removal from Wastewater: Lead Sorption on Pine Bark (Pinus Radiata D.Don)
G. Montes-Atenas & S. L. M. Schroeder
Surface & Interface Analysis 47 (2015) 996-1000.
DOI: 10.1002/sia.5807

[78] Proton Transfer, Hydrogen Bonding, and Disorder: Nitrogen NEXAFS and XPS of Bipyridine-Acid Salts and Co-crystals
J. S. Stevens, L. K. Newton, C. Jaye, C. A. Muryn, D. A. Fischer & S. L. M. Schroeder
Crystal Growth & Design 15 (2015) 1776-1783.
DOI: 10.1021/cg5018278

[77] Self-Association of Organic Solutes in Solution: A NEXAFS Study of Aqueous Imidazole
M. J. Thomason, C. R. Seabourne, B. M. Sattelle, G. A. Hembury, J. S. Stevens, A. J. Scott, E. F. Aziz & S. L. M. Schroeder
Faraday Discussions 179 (2015) 269-289.
DOI: 10.1039/C5FD00005J

[76] Chemical Speciation and Bond Lengths of Organic Solutes by Core Level
Spectroscopy: pH- and Solvent-Influence on p-Aminobenzoic Acid

J. S. Stevens, A. Gainar, E. Suljoti, J. Xiao, R. Golnak, E. F. Aziz & S. L. M. Schroeder
Chemistry – A European Journal 21 (2015) 7256-7263.
DOI: 10.1002/chem.201405635

[75] Structure and Bonding in Au(I) Chloride Species: A Critical Examination of X-ray Absorption Spectroscopy (XAS) Data
S.-Y. Chang, A. Uehara, S. G. Booth, K. Ignatyev, J. F. W. Mosselmans, R. A. W. Dryfe, S. L. M. Schroeder
RSC Advances 5 (2015) 6912-6918.
DOI: 10.1039/C4RA13087A

[74] Incisive Probing of Intermolecular Interactions in Molecular Crystals: Core Level Spectroscopy Combined with Density Functional Theory
J. S. Stevens, C. R. Seabourne, C. Jaye, D. A. Fischer, A. J. Scott, S. L. M. Schroeder
Journal of Physical Chemistry B 118 (2014) 12121-12129.
DOI: 10.1021/jp506983s

[73] Spectroscopic Techniques and the Conservation of Artists’ Acrylic Emulsion Paints
E. A. Willneff, S. L. M. Schroeder, B. A. Ormsby
Heritage Science 2 (2014) 25.
DOI: 10.1186/s40494-014-0025-y

[72] Correlating Catalytic Activity of Ag-Au Nanoparticles with 3D Compositional Variations
T. J. A. Slater, A. Macedo, S. L. M. Schroeder, M. G. Burke, P. O’Brien, P. H. C. Camargo, S. J. Haigh
Nano Letters 14 (2014) 1921-1926.
DOI: 10.1021/nl4047448

[71] The Behaviour of Tributyl Phosphate in an Organic Diluent
L. Leay, K. Tucker, A. del Regno, S. L. M. Schroeder, C. A. Sharrad, A. J. Masters
Molecular Physics 112 (2014) 2203-2214.
DOI: 10.1080/00268976.2014.920112

[70] Immobilisation of Cell-Binding Peptides on Poly- ε -Caprolactone (PCL) Films: A Comparative XPS Study of Two Chemical Surface Functionalisation Methods
J. S. Stevens, A. C. de Luca, S. Downes, G. Terenghi, S. L. M. Schroeder
Surface and Interface Analysis 46 (2014) 673-678.
DOI:10.1002/sia.5396

[69] Conservation of Artists’ Acrylic Emulsion Paints: XPS, NEXAFS and ATR FTIR Studies of Wet Cleaning Methods
E. A. Willneff, B. A. Ormsby, J. S. Stevens, C. Jaye, D. A. Fischer, S. L. M. Schroeder
Surface and Interface Analysis 46 (2014) 776-780.
DOI:10.1002/sia.5376

[68] Proton Transfer and Hydrogen Bonding in the Organic Solid State: A Combined XRD/XPS/ssNMR Study of 17 Organic Acid-Base Complexes
J. S. Stevens, S. J. Byard, C. S. Seaton, G. Sadiq, R. J. Davey, S. L. M. Schroeder
Physical Chemistry Chemical Physics 16 (2014) 1150-1160.
DOI:10.1039/C3CP53907E

[67] In Situ Spectroelectrochemistry at Free-Standing Liquid-Liquid Interfaces: UV-vis Spectroscopy, Microfocus X-ray Absorption Spectroscopy and Fluorescence Imaging
Y. Gründer, J. F. W. Mosselmans, S. L. M. Schroeder & R. A. W. Dryfe
Journal of Physical Chemistry C 117 (2013), 5765–5773.
DOI:10.1021/jp312060f

[66] Quantitative Analysis of Complex Amino Acids and RGD Peptides by X-ray Photoelectron Spectroscopy (XPS)
J. S. Stevens, A. C. de Luca, M. Pelendritis, G. Terenghi, S. Downes, S. L. M. Schroeder
Surface and Interface Analysis 45 (2013), 1238-1246.
DOI:10.1002/sia.5261

[65] Keimbildung organischer Kristalle aus molekularer Sichtweise
R.J. Davey, S.L.M. Schroeder & J.H. ter Horst
Angewandte Chemie 125 (2013) 2220–2234.
DOI:10.1002/ange.201204824

[64] Nucleation of Organic Crystals – A Molecular Perspective
R.J. Davey, S.L.M. Schroeder & J.H. ter Horst
Angewandte Chemie – International Edition 52 (2013) 2166–2179.
DOI:10.1002/anie.201204824

[63] Immobilisation of Cell-Binding Peptides on Poly-ε-caprolactone Film Surface to Biomimic the Peripheral Nervous System
A.C. de Luca, J.S. Stevens, S.L.M. Schroeder, J.B. Guilbaud, A. Saiani, S. Downes & G. Terenghi
Journal of Biomedical Materials Research Part A 101A (2013) 491-501.
DOI:10.1002/jbm.a.34345

[62] The Chemistry of (U,Pu)O2 Dissolution in Nitric Acid
M.J. Carrott, P.M.A. Cook, O.D. Fox, C.J. Maher & S.L.M. Schroeder
Procedia Chemistry 7 (2012) 92-97.
DOI:10.1016/j.proche.2012.10.017

[61] Crystallography Aided by Atomic Core Level Binding Energies: Proton Transfer vs. Hydrogen Bonding in Organic Crystal Structures
J.S. Stevens, S.J. Byard, C.S. Seaton, G. Sadiq, R.J. Davey, S.L.M. Schroeder
Angewandte Chemie – International Edition 50 (2011), 9916–9918
Angewandte Chemie 123 (2011), 10090-10092.
DOI:10.1002/anie.201103981

[60] Inhibited and Enhanced Nucleation of Gold Nanoparticles at the Water|1,2-Dichloroethane Interface
Y. Gründer, H.L.T. Ho, J.F.W. Mosselmans, S.L.M. Schroeder, R.A.W. Dryfe
Physical Chemistry Chemical Physics 13 (2011), 15681-15689.
DOI:10.1039/C1CP21536A

[59] Aluminium(III) fluoride originating from decomposition of hydrazinium fluoroaluminate(III) under oxidative conditions: syntheses, X-ray photoelectron spectroscopy and some catalytic reactions
T. Skapin, Z. Mazej, A. Makarowicz, A. Jesih, M. Nickkho-Amiry, S.L.M. Schroeder, N. Weiher, B. Žemva, J.M. Winfield
Journal of Fluorine Chemistry 132 (2011), 703-712.
DOI:10.1016/j.jfluchem.2011.04.013

[58] Detection of Free Base Surface Enrichment of a Pharmaceutical Salt by X-ray Photoelectron Spectroscopy (XPS)
J.S. Stevens, S.J. Byard, E. Zlotnikov, S.L.M. SchroederJournal of Pharmaceutical Sciences 100 (2011), 942-948.
DOI: 10.1002/jps.22334

[57] Identification of Protonation State by XPS, Solid-state NMR, and DFT: Characterization of the Nature of a New Theophylline Complex by Experimental and Computational Methods
J.S. Stevens, S.J. Byard, C.A. Muryn, S.L.M. Schroeder
Journal of Physical Chemistry B 114 (2010), 13961–13969.
DOI: 10.1021/jp106465u

[56] Salt or Co-Crystal? Determination of Protonation State by X-ray Photoelectron Spectroscopy (XPS)
J.S. Stevens, S.J. Byard, S.L.M. SchroederJournal of Pharmaceutical Sciences 99 (2010) 4453-4457.
DOI: 10.1002/jps.22164

[55] Structure and properties of aluminium oxide-hydroxide fluorides
Chr. Stosiek, G. Scholz, S. L. M. Schroeder, E. KemnitzChemistry of Materials 22 (2010), 2347–2356.
DOI:10.1021/cm903573a

[54] Characterization of Proton Transfer in Co-Crystals by X-ray photoelectron spectroscopy (XPS)
J.S. Stevens, S.J. Byard, S.L.M. Schroeder
Crystal Growth and Design
10 (2010), 1435–1442.
DOI:10.1021/cg901481q

[53] The formation of gold nanocrystalline films at the liquid/liquid interface: comparison of direct interfacial reaction and interfacial assembly
K. Luo, S.L.M. Schroeder, R.A.W. Dryfe
Chemistry of Materials
21 (2009), 4172-4183.
DOI:10.1021/cm900077h

[52] Continuous Tubular Flow Reactor for XAFS Studies of Organometallic Reactions: Possibilities and Limitations for Studies of the Soai Reaction
L.N. Nchari, G.A. Hembury, A.M. Beesley, D.J. Meehan, N. Tsapatsaris, M. Hudson, M. Thomason and S.L.M Schroeder
Journal of Physics: Conference Series
190 (2009) 012156.
DOI:10.1088/1742-6596/190/1/012156

[51] Evolution of Chemical Species during Electrodeposition of Uranium for a-Spectrometry by the Hallstadius Method
A.M. Beesley, M.T. Crespo, N. Weiher, N. Tsapatsaris, J.S. Cózar, H. Esparza, C. G. Méndez, P. Hill, S.L.M. Schroeder & M.E. Montero-Cabrera
Applied Radiation and Isotopes
67 (2009), 1559-1569.
DOI:10.1016/j.apradiso.2009.03.031

[50] Electronic Structure of Lewis Acid Sites on High Surface Area Aluminium Fluorides: A Combined XPS and Ab Initio Investigation
A. Makarowicz, C.L. Bailey, N. Weiher, E. Kemnitz, S.L.M. Schroeder, S. Mukhopadhyay, A. Wander, B.G. Searle, N.M. Harrison
Physical Chemistry – Chemical Physics
11 (2009), 5664-5673.
DOI:10.1039/b821484k

[49] Quantitative Analysis of Saccharides by X-ray Photoelectron Spectroscopy (XPS)
J.S. Stevens & S.L.M. Schroeder
Surface and Interface Analysis
41 (2009), 453-462.
DOI: 10.1002/sia.3047

[48] Novel Sol-Gel Synthesis of Acidic MgF2-x(OH)x Materials
S. Wuttke, S. M. Coman, G. Scholz, A. Vimont, M. Daturi, S.L.M. Schroeder, E. Kemnitz
Chemistry – A European Journal
14 (2008), 11488-11499.
DOI: 10.1002/chem.200801702

[47] High-Throughput Structure/Function Screening of Materials and Catalysts with Multiple Spectroscopic Techniques
M. Tromp, S. Russu, A. J. Dent, J. F. W. Mosselmans, I. Harvey, S. Hayama, A. E. Russell, S. Guerin, B. E. Hayden, J.-P. Suchsland, K. Meacham, M. Surridge, J. G. Frey, N. Tsapatsaris, A. M. Beesley, S. L. M. Schroeder, M. A. Newton, S. Fiddy, O. V. Safonova, P. Glatzel, N. Binsted, J. Evans
American Institute of Physics Proceedings, 882 (2007) 858-860.
DOI:10.1063/1.2644684

[46] Pharmaceutical Compounds Studied Using NEXAFS
A. M. Booth, S. Braun, T. Lonsborough, J. Purton, S. Patel, S. L. M. Schroeder
American Institute of Physics Proceedings
, 882 (2007) 325-327.
DOI:10.1063/1.2644514

[45] High-Throughput Synthesis and Characterization of BiMoVOx Materials
S. Russu, M. Tromp, N. Tsapatsaris, A. M. Beesley, S. L. M. Schroeder, M. T. Weller, J. Evans
American Institute of Physics Proceedings
, 882 (2007) 535-537.
DOI:10.1063/1.2644584

[44] High Throughput In Situ XAFS Screening of Catalysts
N. Tsapatsaris, A. M. Beesley, N. Weiher, H. Tatton, A. J. Dent, F. J. W. Mosselmans, M. Tromp, S. Russu, J. Evans, I. Harvey, S. Hayama, S. L. M. Schroeder
American Institute of Physics Proceedings
, 882 (2007) 597-599
DOI:10.1063/1.2644604

[43] In Situ XAS Studies on the Structure of the Active Site of Supported Gold Catalysts
N. Weiher, A. M. Beesley, N. Tsapatsaris, C. Louis, L. Delannoy, J. A. van Bokhoven, S. L. M. Schroeder
American Institute of Physics Proceedings, 882 (2007) 600-602.
DOI:10.1063/1.2644605

[42] Structure-Property Relationships in Solid AlF3 Lewis Acids
N. Weiher, A. Makarowicz, A. M. Beesley, E. Kemnitz, S. L. M. Schroeder
American Institute of Physics Proceedings, 882 (2007) 827-829.
DOI:10.1063/1.2644677

[41] Stability of the AlF3(012) Surface in H2O and HF Environments: An Investigation using Hybrid Density Functional Theory and Atomistic Thermodynamics
S. Mukhopadhyay, C. L. Bailey, A. Wander , B.G. Searle, C.A. Muryn, S.L.M. Schroeder, R. Lindsay, N. Weiher, N.M. Harrison
Surface Science
601 (2007), 4433-4437.
DOI: 10.1016/j.susc.2007.04.231

[40] Activation of Oxygen by Metallic Gold in Au/TiO2 Catalysts
N. Weiher, A.M. Beesley, N. Tsapatsaris, L. Delannoy, C. Louis, J.A. van Bokhoven & S.L.M. Schroeder
Journal of the American Chemical Society,
129 (2007) 2240-2241.
DOI: 10.1021/ja067316c

[39] Irreversible Collapse of Poly(vinyl Stearate) Monolayers at the Air-Water Interface
P.G. Mussone, A.W.F. Ip, S.L.M. Schroeder, B.S. Murray & A.F. MillerLangmuir, 23 (2007) 3766-3773.
DOI: 10.1021/la0627361

[38] Epitaxial Growth of Single-Crystalline Al2O3 Films on Cr2O3(0001)
K. Dumbuya, K. Christmann & S.L.M. SchroederLangmuir, 23 (2007) 5386-5393.
DOI:10.1021/la061434w

[37] Reducibility of supported gold (III) precursor: influence of the metal oxide support and consequences for CO oxidation activity
L. Delannoy, N. Weiher, N. Tsapatsaris, A. M. Beesley, L. Nchari, S. L. M. Schroeder & C. Louis
Topics in Catalysis, 44 (2007) 263-273.
DOI:10.1007/s11244-007-0299-3

[36] Microreactor Cells for High-Throughput X-ray Absorption Spectroscopy
A. M. Beesley, N. Tsapatsaris, N. Weiher, M. Tromp, J. Evans, A. J. Dent, I. Harvey, S. L. M. Schroeder
American Institute of Physics Proceedings
, 879 (2007) 1735-1738.
DOI:10.1063/1.2436403

[35] High Throughput In Situ EXAFS Instrumentation for the Automatic Characterization of Materials and Catalysts
N. Tsapatsaris, A. M. Beesley, N. Weiher, M. Tromp, J. Evans, A. J. Dent, I. Harvey, S. L. M. Schroeder
American Institute of Physics Proceedings
, 879 (2007) 1739-1742.
DOI:10.1063/1.2436404

[34] The imitation game — a computational/chemical approach to recognizing life
L. Cronin, N. Krasnogor, B. G. Davis, C. Alexander, N. Robertson, J. H. G. Steinke, S. L. M. Schroeder, A. N. Khlobystov, G. Cooper, P. M. Gardner, P. Siepmann, B. J. Whitaker & D. Marsh
Nature Biotechnology
24 (2006) 1203-1206.
DOI:10.1038/nbt1006-1203

[33] Dynamic electronic structure of a Au/TiO2 catalyst under reaction conditions
E. A. Willneff, S. Braun, D. Rosenthal, H. Bluhm, M. Hävecker, E. Kleimenov, A. Knop-Gericke, R. Schlögl & S. L. M. Schroeder
Journal of the American Chemical Society 128 (2006) 12052-12053.
DOI:10.1021/ja062792o

[32] F K-edge X-ray Absorption Near-Edge Structure (XANES) of AlF3 Polymorphs: Combining Ab Initio Calculations with Walsh Correlation Diagrams
S. L. M. Schroeder & N. Weiher
Physical Chemistry – Chemical Physics 8 (2006) 1807-1811.
DOI:10.1039/B518124K

[31] Evidence and Use of Metal-Chromophore Interactions: Luminescence Dichroism of Terthiophene-coated Gold Nanoparticles in Polyethylene Oriented Films
A. Pucci, N. Tirelli, E. A. Willneff, S. L. M. Schroeder, F. Galembeck & G. Ruggeri
Journal of Materials Chemistry
14 (2004) 3495-3502
DOI:10.1039/b409107h

[30] Adsorption of Carbon Monoxide on Au(110)-(1×2)M. J. Gottfried, K. J. Schmidt, S. L. M. Schroeder & K. Christmann
Surface Science, 536 (2003) 206-224.
DOI: 10.1016/S0039-6028(03)00595-8

[29] Oxygen Chemisorption on Au(110)-(1×2). II. Spectroscopic and Reactive Thermal Desorption Measurements
M. J. Gottfried, K. J. Schmidt, S. L. M. Schroeder & K. Christmann
Surface Science, 525 (2003) 197-206.
DOI:10.1016/S0039-6028(02)02559-1

[28] Oxygen Chemisorption on Au(110)-(1×2). I. Thermal Desorption Measurements
M. J. Gottfried, K. J. Schmidt, S. L. M. Schroeder & K. Christmann
Surface Science, 525 (2003) 184-196.
DOI:10.1016/S0039-6028(02)02560-8

[27] Gas Phase Transport of Gold with Gold(III) Oxide and Carbon Monoxide
E. A. Willneff, C. Klanner, S. L. M. Schroeder
Chemical Communications (2003) 258-259.
DOI:10.1039/b210579a

[26] Extended X-ray Absorption Fine-Structure (EXAFS) of a Complex Oxide Structure: A Full Multiple Scattering Analysis of the Au L3-Edge EXAFS of Au2O3N. Weiher, E. A. Willneff, C. Figulla-Kroschel, M. Jansen, S. L. M. Schroeder
Solid State Communications
125 (2003) 317-322.
DOI:10.1016/S0038-1098(02)00817-7

[25] Oxidation of Gold by Oxygen-Ion SputteringM. J. Gottfried, N. Elghobashi, S. L. M. Schroeder, K. Christmann
Surface Science
523 (2003) 89-102.

[24] The Characterization of TiN Thin Films Using Optical Reflectivity MeasurementsM. R. L. Glew, A. Vollmer, S. L. M. Schroeder, Z. H. Barber
Journal of Physics D: Applied Physics
35 (2002), 2643-2647.

[23] Active Sites on an Oxide Catalyst for F/Cl-Exchange Reactions: X-ray Spectroscopy of Fluorinated alpha-Al2O3O. Boese, W. E. S. Unger, E. Kemnitz, S. L. M. Schroeder
Physical Chemistry – Chemical Physics 4 (2002) 2824-2832.
DOI:10.1039/b110792e

[22] Spontaneous and Electron-Induced Adsorption of Oxygen on Au(110)-(1×2)
M. J. Gottfried, K. J. Schmidt, S. L. M. Schroeder & K. Christmann
Surface Science 511 (2002) 65-82.

[21] Effect of the Titanium Oxide Stoichiometry on the Efficiency of CO Oxidation on the Au/TiOx System Surface
T. T. Magkoev, D. Rosenthal, S. L. M. Schroeder & K. Christmann
Technical Physics Letters 26 (2000) 894-896.

[20] Electron-Yield X-ray Absorption Spectroscopy with Gas Microstrip Detectors
T. Rayment, S. L. M. Schroeder, G. D. Moggridge, J. E. Bateman, G. E. Derbyshire & R. Stephenson
Review of Scientific Instruments 71 (2000) 3640-3645.

[19] Fluorine-Modified Chromium Oxide and Its Impact on Heterogeneously Catalyzed Fluorination Reactions
B. Adamczyk, O. Boese, N. Weiher, S. L. M. Schroeder & E. Kemnitz
Journal of Fluorine Chemistry 101 (2000) 239-246.
DOI:10.1016/S0022-1139(99)00165-7

[18] Electron-Yield X-ray Absorption Spectroscopy in Gaseous Environments
S. L. M. Schroeder, G. D. Moggridge, R. M. Lambert & T. Rayment
Chapter 1, Pages 1-70, in: Spectroscopy for Surface Science, edited by R.J.H. Clark & R.E. Hester
Advances in Spectroscopy Vol. 26, John Wiley & Sons, Chichester 1998

[17] Predicting the Probing Depth of Total Electron-Yield X-ray Absorption Spectroscopy for Samples of Mixed Elemental Composition
S. L. M. Schroeder
In: ECASIA 97, edited by I. Olefjord, L. Nyborg & D. Briggs (John Wiley & Sons, Chichester 1998), 879-882.

[16] In Situ Studies of Catalysts under Reaction Conditions by Total Electron-Yield XAS: Possibilities and Limitations of a New Experimental Technique
S. L. M. Schroeder, G. D. Moggridge, E. Chabala, R. M. Ormerod, T. Rayment & R. M. Lambert
Faraday Discussions of the Chemical Society, 105 (1996) 317-336.

[15] General Discussion
P.R. Davies, H.-J. Freund, D.W. Goodman, G.A. Somorjai, A. Zecchina, N. Sheppard, W. Weiss, G. Thornton, M.A. Chesters, Q.F. Ge, J.M. Thomas, B. Kasemo, R.W. Joyner, S.L.M. Schroeder, M. Bowker, A.F. Carley, W. R. Flavell, B. Sakakini, R. M. Lambert, F. S. Stone, K. C. Waugh & M. S. Spencer
Faraday Discussions of the Chemical Society, 105 (1996) 377-400.

[14] Thermal Dehydration of Hydrous Chromium Hydroxide Gel: In Situ Studies by Total Electron-Yield XAS
S. L. M. Schroeder, G. D. Moggridge, R. M. Lambert & T. Rayment
Journal de Physique IV 7-C2 (1997) 923-924.

[13] In Situ Probing of the Near-Surface Properties of Heterogeneous Catalysts under Reaction Conditions: An Introduction to Total Electron-Yield XAS
S. L. M. Schroeder, G. D. Moggridge, T. Rayment & R. M. Lambert
Journal of Molecular Catalysis A: Chemical, 119 (1997) 357-365.
DOI: 10.1016/S1381-1169(96)00499-2

[12] Self-Absorption Effects in Grazing-Incidence Total Electron-Yield XAS
S. L. M. Schroeder, G. D. Moggridge, R. M. Lambert & T. Rayment
Journal de Physique IV 7-C2 (1997) 91-96.
DOI: 10.1051/jp4/1997022

[11] Probing Depth of Total Electron-Yield XAS: Monte-Carlo Simulations of Auger Electron Trajectories
S. L. M. Schroeder
Journal de Physique IV 7-C2 (1997) 153-154.

[10] Surface Microstructure Effects: Molecular Ethane Adsorption Dynamics on Pt(110)-(1×2)
J. A. Stinnett, M. C. McMaster, S. L. M. Schroeder & R. J. Madix
Surface Science, 365 (1996) 683-700.

[9] Towards a ‘Universal Curve’ for Total Electron-Yield XAS
S. L. M. Schroeder
Solid State Communications, 98 (1996) 405-409.
DOI: 10.1016/0038-1098(96)00035-X

[8] Potassium-Induced Reconstructive Phase Transitions on Au(100)
S. L. M. Schroeder, A. Neumann, T. Solomun, P. Lenz-Solomun & K. Christmann
Surface Science 337 (1995) 285-293.

[7] Adsorption of Sodium and Potassium on a Gold(100) Surface: An Example of Alkali Metal Induced Deconstruction
A. Neumann, S. L. M. Schroeder & K. Christmann
Physical Review B 51 (1995) 17007-17022.

[6] Environmental Cells for In Situ X-ray Diffraction and X-ray Absorption Spectroscopic Studies of Heterogeneous Catalysts
G. D. Moggridge, S. L. M. Schroeder, R. M. Lambert & T. Rayment
Nuclear Instruments and Methods in Physics Research B 97 (1995) 28-32.

[5] What Determines the Probing Depth of Electron Yield XAS?
S. L. M. Schroeder, G. D. Moggridge, R. M. Ormerod, T. Rayment & R. M. Lambert
Surface Science Letters 324 (1995) L371-L377.
DOI: 10.1016/0039-6028(94)00779-9
Surface Science Letters 329 (1995) L612.
DOI: 10.1016/0039-6028(95)00394-0

[4] Conversion Electron Detection as a Probe for In Situ XAFS Catalyst Studies
S. L. M. Schroeder, G. D. Moggridge, R. M. Ormerod, R. M. Lambert & T. Rayment
Physica B 208&209 (1995) 215-216.

[3] Chemistry of Hydrogen Cyanide. 11. A Novel Reaction of the Cyano-Ligand Opening an Organometallic Route to 4-Amino Imidazoles – 4 Component Condensation (4CC) with Isocyanide, Aldehyde and Amine
D. Rieger, S. D. Lotz, U. Kernbach, S. Schröder, C. André & W. P. Fehlhammer
Inorganica Chimica Acta 222 (1994) 275-290.
DOI: 10.1016/0020-1693(94)03919-4

[2] Molecular Propane Adsorption Dynamics on Pt(110)-(1×2)
M. C. McMaster, S. L. M. Schroeder & R. J. Madix
Surface Science 297 (1993) 253-271.

[1] Surface Corrugation Effects on the Adsorption Dynamics of Xenon on Pt(110)-(1×2)
S. Schroeder, M. C. McMaster, J. A. Stinnett & R. J. Madix
Surface Science Letters 297 (1993) L148-L155.