Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I15-1 Contact
Beamline Phone Number:
+44 (0) 1235 778144
Principal Beamline Scientist:
Dean Keeble
Tel: +44 (0) 1235 778391
E-mail: [email protected]
XPDF Manual
Science Group Leader
Philip Chater
Email: [email protected]
Tel: +44 (0)1235 778677
I15-1 XPDF: X-ray Pair Distribution Function
Status: Operational
Wavelength: 0.31, 0.19, 0.16 Å
Energy: 40, 65, 76 keV
Energy: 40, 65, 76 keV
These papers are all based at least in part on data gathered on beamline I15-1. If you have published a paper based on data from I15-1 which doesn't appear here, please send a reference (ideally including a DOI) to us.
22 items found for 2026 [total: 263]
Alkali-ion-modified zeolitic imidazolate framework glasses Nature Chemistry, 51 May 2026 DOI: 10.1038/s41557-026-02115-8
Tuning the electrochemical stability window of Li3YCl6 by fluorine doping to enable 4.8V solid-state battery Journal Of The Electrochemical Society, May 2026 DOI: 10.1149/1945-7111/ae67aa
Journal Paper I15-1-X-ray Pair Distribution Function (XPDF)
Local ordering of dimethylformamide around graphene oxide Philosophical Transactions Of The Royal Society A: Mathematical, Physical And Engineering Sciences, 384 Apr 2026 DOI: 10.1098/rsta.2025.0086
Atomically precise engineering of synergistic binding sites in a zirconium metal-organic framework for the capture of perfluorooctanoic acid Journal Of The American Chemical Society, 89 Apr 2026 DOI: 10.1021/jacs.5c23392
Amorphous intermediates and discovery of a kinetic polymorph of BiVO4 from heating V+Bi+Zn single-source precursors Nature Communications, 17 Apr 2026 DOI: 10.1038/s41467-026-71702-7
Reimagining interface processing in solid-state batteries via electrochemical flash sintering Journal Of Materials Chemistry A, 1 Apr 2026 DOI: 10.1039/D6TA00082G
Journal Paper I15-1-X-ray Pair Distribution Function (XPDF)
Ultrafast capture of per- and polyfluoroalkyl substances from water by mesoporous zirconium metal-organic frameworks Acs Materials Letters, Apr 2026 DOI: 10.1021/acsmaterialslett.6c00186
Pyrolysis of an amorphous cobalt(ii) cubane-like coordination polymer towards tunable structurally disordered materials Dalton Transactions, 14 Apr 2026 DOI: 10.1039/D6DT00142D
Design of a high-performance infrared nonlinear optical crystal via a multiple flexible-group synergistic polarization strategy Journal Of The American Chemical Society, Apr 2026 DOI: 10.1021/jacs.6c04439
Journal Paper I15-1-X-ray Pair Distribution Function (XPDF)
Ga-Sb-S glasses: Synthesis, properties and structural insights from Raman spectroscopy, high-energy XRD and DFT modelling Journal Of Non-Crystalline Solids, 679 Apr 2026 DOI: 10.1016/j.jnoncrysol.2026.124014
Introducing functionalities into directly synthesised amorphous UiO-66-based metal-organic frameworks Journal Of Materials Chemistry A, 47 Mar 2026 DOI: 10.1039/D5TA09975G
Elucidating the sodium insertion mechanism of an organic electrode material for sodium-ion batteries Ccs Chemistry, Mar 2026 DOI: 10.31635/ccschem.026.202507155
Advancing battery diagnostics through operando neutron diffraction of unmodified nondeuterated Li-ion single-layer pouch cells Chemistry Of Materials, Mar 2026 DOI: 10.1021/acs.chemmater.5c03201
Aerobic melt-quenching and glass formation in one-dimensional metal-organic hybrids Journal Of Materials Chemistry A, Mar 2026 DOI: 10.1039/D6TA00409A
Accessing photocatalytically active covalent triazine-based frameworks by ball milling: a fast and facile synthesis method Green Chemistry, 15 Feb 2026 DOI: 10.1039/D5GC06349C
Unveiling active sites and the cooperative role of non-thermal plasma and copper-zinc catalysts in the hydrogenation of CO2 to methanol Nature Catalysis, 46 Feb 2026 DOI: 10.1038/s41929-025-01477-5
Elucidating the sodium insertion mechanism of an organic electrode material for sodium-ion batteries Ccs Chemistry, Feb 2026 DOI: 10.31635/ccschem.025.202507155
Milling-induced defect engineering of Zr-based metal–organic frameworks and its catalytic applications Acs Applied Materials & Interfaces, 6 Feb 2026 DOI: 10.1021/acsami.5c20312
Journal Paper I15-1-X-ray Pair Distribution Function (XPDF)
Mn-promoted Co/TiO2 catalysts: quantitative analysis of cobalt polymorphs and stacking faults and its effect on Fischer-Tropsch synthesis performance Acs Catalysis, Feb 2026 DOI: 10.1021/acscatal.5c07197
Charge ordering and incommensurate modulations in the metamagnetic layered manganese oxysulfide Sr2MnO2Cu3.5S Journal Of The American Chemical Society, 2 Jan 2026 DOI: 10.1021/jacs.5c21494
Journal Paper I11-High Resolution Powder Diffraction I15-1-X-ray Pair Distribution Function (XPDF) open access
Temperature- and pressure-dependent symmetry-breaking transitions in K2IrCl6 Inorganic Chemistry, Jan 2026 DOI: 10.1021/acs.inorgchem.5c04999
Journal Paper I15-1-X-ray Pair Distribution Function (XPDF)
Ferroelectric hardening in Ti-doped BiFeO3-BaTiO3 ceramics Jan 2026
Thesis I15-1-X-ray Pair Distribution Function (XPDF) open access
- Pascal Kolodzeiski, Benjamin M. Gallant, Lennard Richter, Mario Antonio T. Ongkiko, Carlo Franke, Aleksander Kostka, Wen-Long Xue, Chinmoy Das, Jan-Benedikt Weiss, Elena Kolodzeiski, Thomas Kress, Gregor Kieslich, Tong Li, Andrew J. Morris, Dominik Kubicki, Sebastian Henke, "Alkali-ion-modified zeolitic imidazolate framework glasses", Nature Chemistry, 51 (2026), DOI: 10.1038/s41557-026-02115-8
- Lily Mandal, Susmita Bera, Ripan K. Biswas, Abhik Banerjee, "Tuning the electrochemical stability window of Li3YCl6 by fluorine doping to enable 4.8V solid-state battery", Journal Of The Electrochemical Society (2026), DOI: 10.1149/1945-7111/ae67aa
- Martin C. Wilding, Tom Headen, Adam Clancy, Stephen A. Hodge, Thanuja Galhena, Neal Skipper, Christopher Howard, "Local ordering of dimethylformamide around graphene oxide", Philosophical Transactions Of The Royal Society A: Mathematical, Physical And Engineering Sciences, 384 (2026), DOI: 10.1098/rsta.2025.0086
- Sergio Marugán-Benito, Michalis Vlachos, Lutz Ahrens, Miguel Roselló-González, Carlo Marini, Jordi Prat Albert, Andreas Mavrandonakis, Edward Loukopoulos, Ana Platero-Prats, "Atomically precise engineering of synergistic binding sites in a zirconium metal-organic framework for the capture of perfluorooctanoic acid", Journal Of The American Chemical Society, 89 (2026), DOI: 10.1021/jacs.5c23392
- Alexandria E. Hands, Thomas J. Barnes, Andrea Scarperi, Benjamin M. Gallant, Emanuele Vismara, Julia Wiktor, Stephen E. Brown, David Walker, Ashok S. Menon, Javier Castells-Gil, Dominik J. Kubicki, Sebastian D. Pike, "Amorphous intermediates and discovery of a kinetic polymorph of BiVO4 from heating V+Bi+Zn single-source precursors", Nature Communications, 17 (2026), DOI: 10.1038/s41467-026-71702-7
- Riku Fukada, Claire V. Colin, Timothée Fabre, Marlu César Steil, Renaud Bouchet, Maria Diaz-Lopez, "Reimagining interface processing in solid-state batteries via electrochemical flash sintering", Journal Of Materials Chemistry A, 1 (2026), DOI: 10.1039/D6TA00082G
- Sergio Marugán-Benito, Rodrigo Gil-San-Millan, María Alarcón Del Río, Lutz Ahrens, Edward Loukopoulos, Ana Platero-Prats, "Ultrafast capture of per- and polyfluoroalkyl substances from water by mesoporous zirconium metal-organic frameworks", Acs Materials Letters (2026), DOI: 10.1021/acsmaterialslett.6c00186
- Sara Frank, Mads Folkjær, Melissa J. Marks, Simon J. L. Billinge, Nina Lock, "Pyrolysis of an amorphous cobalt(ii) cubane-like coordination polymer towards tunable structurally disordered materials", Dalton Transactions, 14 (2026), DOI: 10.1039/D6DT00142D
- Lihua Gao, Xuemei Shi, Jing Kong, Frederick P. Marlton, Brendan J. Kennedy, Guang Peng, Ning Ye, Jindong Chen, "Design of a high-performance infrared nonlinear optical crystal via a multiple flexible-group synergistic polarization strategy", Journal Of The American Chemical Society (2026), DOI: 10.1021/jacs.6c04439
- M. Kassem, A. Sammoury, P. A. Chater, M. Bokova, Y. Dabaki, H. Kassem, T. Hamieh, J. Toufaily, E. Bychkov, "Ga-Sb-S glasses: Synthesis, properties and structural insights from Raman spectroscopy, high-energy XRD and DFT modelling", Journal Of Non-Crystalline Solids, 679 (2026), DOI: 10.1016/j.jnoncrysol.2026.124014
- Emily V. Shaw, Javier Pérez-Carvajal, Elena López-Elvira, Shaoliang Guan, Timothy Lambden, Georgina P. Robertson, Arad Lang, Joonatan E. M. Laulainen, Celia Chen, Chumei Ye, Anna Herlihy, Catherine Dejoie, David A. Keen, Paul Midgley, Thomas D. Bennett, Celia Castillo-Blas, "Introducing functionalities into directly synthesised amorphous UiO-66-based metal-organic frameworks", Journal Of Materials Chemistry A, 47 (2026), DOI: 10.1039/D5TA09975G
- Maximillian G. Stanzione, Oxana V. Magdysyuk, Daniel J. M. Irving, Chinnasamy Murugesan, Nicole L. Kelly, Yingling Liao, Pech Thongkam, Heitor S. Seleghini, Paul S. Wheatley, David B. Cordes, Simon J. Coles, Daniel N. Rainer, Aamod V. Desai, Sharon E. Ashbrook, Julia L. Payne, Russell E. Morris, A. Robert Armstrong, "Elucidating the sodium insertion mechanism of an organic electrode material for sodium-ion batteries", Ccs Chemistry (2026), DOI: 10.31635/ccschem.026.202507155
- Ashok S. Menon, Gaurav C. Pandey, Fabio Orlandi, Pascal Manuel, Tobias A. Bird, Daniel J. M. Irving, Eleni Fiamegkou, Gabriel E. Perez, Louis F. J. Piper, "Advancing battery diagnostics through operando neutron diffraction of unmodified nondeuterated Li-ion single-layer pouch cells", Chemistry Of Materials (2026), DOI: 10.1021/acs.chemmater.5c03201
- Shruti Kirti, Patrick Schlachta, Sebastian A. Hallweger, Gregor Kieslich, Christoph Hartmann, Bikash Kumar Shaw, "Aerobic melt-quenching and glass formation in one-dimensional metal-organic hybrids", Journal Of Materials Chemistry A (2026), DOI: 10.1039/D6TA00409A
- Leonie Sophie Häser, Sven Moos, Felix Egger, Keanu Birkelbach, Mirijam Zobel, Thomas Wiegand, Regina Palkovits, "Accessing photocatalytically active covalent triazine-based frameworks by ball milling: a fast and facile synthesis method", Green Chemistry, 15 (2026), DOI: 10.1039/D5GC06349C
- Shanshan Xu, Matthew E. Potter, Raquel Simancas, Lucy Costley-Wood, Boya Qiu, Xuzhao Liu, Cristina Stere, M. Asuncion Molina, Danial Farooq, Floriana Tuna, Dingyue Zhang, Shuanglin Zhang, Huanhao Chen, Shengzhe Ding, Xinrui Wang, Sarayute Chansai, Matthew Lindley, Sarah J. Haigh, Armando Ibraliu, Lan Lan, Piu Chawdhury, Mariyam Bi, Otis Leahair, Yilai Jiao, Min Hu, Qiang Liu, Toru Wakihara, Xiaolei Fan, Andrew M. Beale, Christopher Hardacre, "Unveiling active sites and the cooperative role of non-thermal plasma and copper-zinc catalysts in the hydrogenation of CO2 to methanol", Nature Catalysis, 46 (2026), DOI: 10.1038/s41929-025-01477-5
- Maximillian G. Stanzione, Oxana V. Magdysyuk, Daniel J. M. Irving, Chinnasamy Murugesan, Nicole L. Kelly, Yingling Liao, Pech Thongkam, Heitor S. Seleghini, Paul S. Wheatley, David B. Cordes, Simon J. Coles, Daniel N. Rainer, Aamod V. Desai, Sharon E. Ashbrook, Julia L. Payne, Russell E. Morris, A. Robert Armstrong, "Elucidating the sodium insertion mechanism of an organic electrode material for sodium-ion batteries", Ccs Chemistry (2026), DOI: 10.31635/ccschem.025.202507155
- Georgina P. Robertson, Emily V. Shaw, Florencia A. Son, Celia Castillo-Blas, Bethan Turner, James M. A. Steele, Christopher A. O'Keefe, Kirill A. Lomachenko, Angelika D. Rosa, Daniel J. M. Irving, Michael F. Thorne, Alice M. Bumstead, Omar K. Farha, Lauren N. Mchugh, David A. Keen, Philip A. Chater, Thomas D. Bennett, "Milling-induced defect engineering of Zr-based metal–organic frameworks and its catalytic applications", Acs Applied Materials & Interfaces, 6 (2026), DOI: 10.1021/acsami.5c20312
- Danial Farooq, Lucy Costley-Wood, Sebastian Stockenhuber, Antonis Vamvakeros, Stephen Price, Lisa Allen, Jakub Drnec, James Paterson, Mark Peacock, Daniel J. M. Irving, Philip A. Chater, Andrew M. Beale, "Mn-promoted Co/TiO2 catalysts: quantitative analysis of cobalt polymorphs and stacking faults and its effect on Fischer-Tropsch synthesis performance", Acs Catalysis (2026), DOI: 10.1021/acscatal.5c07197
- Lemuel E. Crentsil, Oliver J. Rutt, David G. Free, Murray J. David, Robert D. Smyth, Catherine F. Smura, David A. Keen, Andrew N. Fitch, Joke Hadermann, Simon J. Clarke, "Charge ordering and incommensurate modulations in the metamagnetic layered manganese oxysulfide Sr2MnO2Cu3.5S", Journal Of The American Chemical Society, 2 (2026), DOI: 10.1021/jacs.5c21494
- Caleb J. Bennett, Neha Bura, Frederick P. Marlton, Wen Liang Tan, Tobias A. Bird, Pablo Botella, Peijie Zhang, Benedito Donizeti Botan-Neto, Jose Luis Rodrigo Ramon, Catalin Popescu, Frederico Alabarse, Daniel Errandonea, Brendan J. Kennedy, "Temperature- and pressure-dependent symmetry-breaking transitions in K2IrCl6", Inorganic Chemistry (2026), DOI: 10.1021/acs.inorgchem.5c04999
- [Thesis] Lecheng Zhang, "Ferroelectric hardening in Ti-doped BiFeO3-BaTiO3 ceramics" (2026)
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